Metabolite Name 20200715_003_srm1950 20200715_005_qc 20200715_007_qc 20200715_009_qc 20200715_001_Blank-pos 20200715_003_QC-pos 20200715_027_QC-pos 20200715_049_QC-pos 20200716_001_Blank-pos 20200716_003_QC-pos 20200716_027_QC-pos 20200716_049_QC-pos 20200717_001_Blank-pos 20200717_003_QC-pos 20200717_027_QC-pos 20200717_049_QC-pos 20200718_001_Blank-pos 20200718_003_QC-pos 20200718_027_QC-pos 20200718_049_QC-pos 20200719_001_Blank-pos 20200719_003_QC-pos 20200719_027_QC-pos 20200719_049_QC-pos 20200720_001_Blank-pos 20200720_003_QC-pos 20200720_027_QC-pos 20200720_049_QC-pos 20200721_001_Blank-pos 20200721_003_QC-pos 20200721_027_QC-pos 20200721_049_QC-pos 20200722_001_Blank-pos 20200722_003_QC-pos 20200722_027_QC-pos 20200722_049_QC-pos 20200723_001_Blank-pos 20200723_003_QC-pos 20200723_027_QC-pos 20200723_049_QC-pos 20200724_001_Blank-pos 20200724_003_QC-pos 20200724_027_QC-pos 20200724_049_QC-pos 20200725_001_Blank-pos 20200725_003_QC-pos 20200725_027_QC-pos 20200725_043_QC-pos FIT01-001-pos FIT01-002-pos FIT01-003-pos FIT01-004-pos FIT01-005-pos FIT01-006-pos FIT01-007-pos FIT01-008-pos FIT01-009-pos FIT01-010-pos FIT01-011-pos FIT01-012-pos FIT01-013-pos FIT01-014-pos FIT01-015-pos FIT01-016-pos FIT01-017-pos FIT01-018-pos FIT01-019-pos FIT01-020-pos FIT01-021-pos FIT01-022-pos FIT01-023-pos FIT01-024-pos FIT01-025-pos FIT01-026-pos FIT01-027-pos FIT01-028-pos FIT01-029-pos FIT01-030-pos FIT01-031-pos FIT01-032-pos FIT01-033-pos FIT01-034-pos FIT01-035-pos FIT01-036-pos FIT01-037-pos FIT01-038-pos FIT01-039-pos FIT01-040-pos FIT01-041-pos FIT01-042-pos FIT01-043-pos FIT01-044-pos FIT01-045-pos FIT01-046-pos FIT01-047-pos FIT01-048-pos FIT01-049-pos FIT01-050-pos FIT01-051-pos FIT01-052-pos FIT01-053-pos FIT01-054-pos FIT01-055-pos FIT01-056-pos FIT01-057-pos FIT01-058-pos FIT01-059-pos FIT01-060-pos FIT01-061-pos FIT01-062-pos FIT01-063-pos FIT01-064-pos FIT01-065-pos FIT01-066-pos FIT01-067-pos FIT01-068-pos FIT01-069-pos FIT01-070-pos FIT01-071-pos FIT01-072-pos FIT01-073-pos FIT01-074-pos FIT01-075-pos FIT01-076-pos FIT01-077-pos FIT01-078-pos FIT01-079-pos FIT01-080-pos FIT01-081-pos FIT01-082-pos FIT01-083-pos FIT01-084-pos FIT01-085-pos FIT01-086-pos FIT01-087-pos FIT01-088-pos FIT01-089-pos FIT01-090-pos FIT01-091-pos FIT01-092-pos FIT01-093-pos FIT01-094-pos FIT01-095-pos FIT01-096-pos FIT01-098-pos FIT01-099-pos FIT01-100-pos FIT01-101-pos FIT01-102-pos FIT01-103-pos FIT01-104-pos FIT01-105-pos FIT01-106-pos FIT01-107-pos FIT01-108-pos FIT01-109-pos FIT01-110-pos FIT01-111-pos FIT01-112-pos FIT01-113-pos FIT01-114-pos FIT01-115-pos FIT01-116-pos FIT01-117-pos FIT01-118-pos FIT01-119-pos FIT01-120-pos FIT01-121-pos FIT01-122-pos FIT01-123-pos FIT01-124-pos FIT01-125-pos FIT01-126-pos FIT01-127-pos FIT01-129-pos FIT01-130-pos FIT01-131-pos FIT01-133-pos FIT01-134-pos FIT01-135-pos FIT01-136-pos FIT01-137-pos FIT01-138-pos FIT01-139-pos FIT01-140-pos FIT01-141-pos FIT01-142-pos FIT01-143-pos FIT01-144-pos FIT01-145-pos FIT01-146-pos FIT01-147-pos FIT01-148-pos FIT01-149-pos FIT01-150-pos FIT01-151-pos FIT01-152-pos FIT01-153-pos FIT01-154-pos FIT01-155-pos FIT01-156-pos FIT01-157-pos FIT01-158-pos FIT01-159-pos FIT01-160-pos FIT01-161-pos FIT01-162-pos FIT01-163-pos FIT01-164-pos FIT01-165-pos FIT01-166-pos FIT01-167-pos FIT01-168-pos FIT01-170-pos FIT01-171-pos FIT01-172-pos FIT01-173-pos FIT01-174-pos FIT01-175-pos FIT01-176-pos FIT01-178-pos FIT01-179-pos FIT01-181-pos FIT01-183-pos FIT01-184-pos FIT01-185-pos FIT01-186-pos FIT01-187-pos FIT01-188-pos FIT01-189-pos FIT01-190-pos FIT01-194-pos FIT01-195-pos FIT01-196-pos FIT01-197-pos FIT01-198-pos FIT01-199-pos FIT01-200-pos FIT01-201-pos FIT01-202-pos FIT01-203-pos FIT01-204-pos FIT01-205-pos FIT01-206-pos FIT01-207-pos FIT01-208-pos FIT01-209-pos FIT01-210-pos FIT01-211-pos FIT01-213-pos FIT01-214-pos FIT01-215-pos FIT01-216-pos FIT01-217-pos FIT01-218-pos FIT01-219-pos FIT01-220-pos FIT01-221-pos FIT01-222-pos FIT01-223-pos FIT01-224-pos FIT01-225-pos "(3Z)-3-(3-Methylbutylidene)-3a,4-dihydro-2-benzofuran-1(3H)-one_1.73" 6.478581e+05 2.544998e+05 2.677194e+05 2.970616e+05 3.320703e+04 2.844458e+05 2.978268e+05 4.064207e+05 54196.81 2.775950e+05 2.168301e+05 3.280052e+05 52889.52 2.248066e+05 2.334269e+05 3.488046e+05 3.127078e+04 3.516389e+05 2.939288e+05 2.396833e+05 1.114603e+05 1.940200e+05 3.018997e+05 3.750540e+05 48916.68 2.770734e+05 2.696403e+05 2.926017e+05 5.364409e+04 2.548479e+05 3.818641e+05 2.354505e+05 48939.02 2.847116e+05 2.698990e+05 3.062065e+05 8.385855e+04 2.445568e+05 2.792318e+05 2.810932e+05 6.143709e+04 2.209132e+05 3.332570e+05 4.134951e+05 7.582822e+04 1.045749e+05 2.002116e+05 2.842463e+05 2.378219e+05 2.386843e+05 1.211751e+05 1.357634e+05 2.614307e+05 3.928939e+05 3.942428e+05 2.623427e+05 3.856537e+05 2.936276e+05 3.464648e+05 2.898125e+05 5.001425e+05 2.321963e+05 3.506443e+05 3.693977e+05 4.156335e+05 1.939753e+05 3.449521e+05 5.741093e+05 2.836606e+05 2.126569e+05 3.984370e+05 3.783477e+05 2.694771e+05 4.322266e+05 1.963257e+05 1.966862e+05 2.803850e+05 3.812471e+05 9.180425e+04 2.796482e+05 1.577256e+05 1.400843e+05 2.589439e+05 2.481668e+05 1.462720e+05 1.746117e+05 7.147882e+04 1.054461e+05 2.176777e+05 2.646307e+05 4.016050e+05 3.352550e+05 2.555525e+05 2.148166e+05 2.979010e+05 2.809273e+05 4.299617e+05 1.459870e+05 2.919959e+05 1.988102e+05 2.108390e+05 2.897682e+05 9.818388e+04 4.587776e+05 2.925664e+05 1.398604e+05 2.682681e+05 1.799851e+05 9.873472e+04 1.937806e+05 2.052765e+05 3.667429e+05 3.304222e+05 6.521117e+04 1.599951e+05 1.626722e+05 2.394332e+05 1.350120e+05 1.580848e+05 1.087337e+05 1.036630e+05 1.799232e+05 1.312755e+05 9.379125e+04 2.123478e+05 5.054452e+06 2.605386e+05 1.250861e+05 1.986516e+05 1.270976e+05 2.099359e+05 6.338438e+04 1.215005e+05 2.370124e+05 3.005543e+05 7.635275e+04 9.959467e+04 2.488161e+05 1.696339e+05 2.292102e+05 7.742269e+04 2.863596e+05 2.095622e+05 1.243250e+05 1.862927e+05 3.393403e+05 2.866660e+05 1.989695e+05 2.343065e+05 2.023765e+05 1.900290e+05 3.279672e+05 9.745275e+04 2.066880e+05 1.971179e+05 1.040809e+05 2.597687e+05 3.162639e+05 5.382724e+05 1.922831e+05 3.575363e+05 3.150675e+05 3.335630e+05 2.172170e+05 4.542619e+05 2.352755e+05 2.639944e+05 2.268836e+05 3.329485e+05 1.644855e+05 1.827485e+05 2.070751e+05 1.699711e+05 2.094319e+05 2.307638e+05 3.035354e+05 3.850702e+05 3.863716e+05 1.065469e+05 4.127016e+05 3.370050e+05 2.117049e+06 2.996393e+05 2.830571e+05 2.308055e+05 3.777852e+05 2.729607e+05 1.256446e+05 1.412080e+06 1.223637e+05 4.069838e+05 1.982902e+05 5.558664e+05 3.165673e+05 7.804663e+05 2.333407e+05 6.959313e+06 5.083934e+05 2.379862e+05 3.780317e+05 3.236425e+05 5.218262e+05 3.614903e+05 2.036656e+05 2.966523e+05 1.133263e+05 3.691325e+05 8.112982e+04 3.318377e+05 1.808572e+05 2.997278e+05 2.831622e+05 2.224053e+05 2.972879e+05 2.853940e+05 4.190043e+05 4.319178e+05 3.068404e+05 3.793497e+05 3.144141e+05 3.378037e+05 3.069997e+05 8.841592e+04 1.897321e+05 1.656442e+05 7.212649e+05 2.304071e+05 4.152106e+05 3.110533e+05 2.860226e+05 3.279437e+05 3.401857e+05 2.043592e+05 3.359247e+05 1.929507e+05 1.495287e+05 1.008969e+05 2.867419e+05 2.210307e+05 1.484652e+05 1.215289e+05 2.101377e+05 3.016852e+05 1.918550e+05 2.171255e+05 1.427961e+05 1.413653e+05 1.488859e+05 1.787834e+05 2.605578e+05 2.168435e+05 3.153313e+05 2.471933e+05 2.233453e+05 2.342289e+05 1.293838e+05 2.427394e+05 4.127858e+05 1.443288e+05 2.764764e+05 2.479347e+05 1.834741e+05 C22 H33 N P2_1.732 5.584680e+04 4.496340e+06 4.464100e+06 4.126186e+06 4.790114e+04 4.948111e+06 3.052332e+06 5.645682e+06 117692.39 3.960017e+06 2.515734e+06 5.086156e+06 120817.08 4.537330e+06 3.943284e+06 6.090865e+06 7.886466e+04 4.446353e+06 3.400987e+06 4.588077e+06 2.759975e+05 3.665913e+06 3.708458e+06 3.997757e+06 126592.215 5.315617e+06 4.179651e+06 6.004429e+06 1.178957e+05 2.539349e+06 5.000818e+06 5.216712e+06 101069.15 2.792903e+06 3.980163e+06 3.919795e+06 1.480566e+05 5.191423e+06 4.403434e+06 4.627447e+06 1.258816e+05 3.197408e+06 4.516509e+06 7.176570e+06 1.996220e+05 3.082544e+06 3.232002e+06 4.136426e+06 3.382174e+06 4.368698e+06 1.004042e+06 7.067535e+06 4.275788e+06 2.766146e+06 4.873031e+06 2.845363e+06 4.206351e+06 3.458883e+06 5.919576e+06 6.429473e+06 5.887518e+06 2.733755e+06 3.963225e+06 3.421497e+06 5.639084e+06 3.851751e+06 4.689315e+06 2.110784e+06 3.195534e+06 4.023573e+06 7.384327e+06 3.810047e+06 4.836566e+06 2.991597e+06 3.807675e+06 3.736902e+06 2.531231e+06 6.382097e+06 1.366798e+05 4.896841e+06 4.444843e+06 6.205648e+06 2.685390e+06 3.521903e+06 2.908775e+06 4.199766e+06 2.196522e+06 1.844106e+06 4.544745e+06 3.513613e+06 2.642905e+06 4.511561e+06 1.395668e+06 2.997990e+06 5.082773e+06 4.069470e+06 5.436972e+06 3.657430e+06 5.266241e+06 3.619258e+06 2.813746e+06 6.233828e+06 2.746761e+06 2.746392e+06 3.073502e+06 4.982215e+06 9.363236e+05 4.883678e+06 1.786078e+06 4.590734e+06 4.049368e+06 2.181509e+06 2.004363e+06 5.034215e+06 7.553671e+06 2.474076e+06 6.478118e+06 4.034551e+06 1.826551e+06 2.036191e+06 2.898397e+06 7.984512e+05 2.150254e+06 2.252970e+06 3.268602e+06 3.123351e+06 3.872172e+06 2.413984e+06 2.624536e+06 3.764985e+06 3.311440e+06 1.350910e+05 4.349243e+06 5.192500e+06 5.183632e+06 4.391161e+06 3.989725e+06 4.675979e+06 3.192056e+06 2.390410e+06 3.115245e+06 3.301804e+06 5.555071e+06 2.682188e+06 3.729839e+06 4.344008e+06 2.372819e+06 3.399840e+06 2.377534e+06 2.877943e+06 4.514540e+06 7.013164e+06 2.865986e+06 2.148924e+06 3.738609e+06 3.458566e+06 3.032850e+06 3.482356e+06 3.808112e+06 3.709965e+06 4.225258e+06 4.591941e+06 1.620426e+06 3.232710e+06 2.356377e+06 3.505016e+06 3.697970e+06 3.321998e+06 3.954808e+06 2.328461e+06 3.424812e+06 4.424418e+06 3.018027e+06 3.331959e+06 4.467327e+06 3.787475e+06 2.256976e+06 4.838401e+06 4.978280e+06 4.634700e+06 1.034916e+07 2.059914e+06 4.581236e+06 3.092774e+06 2.918784e+06 3.559915e+06 3.714073e+06 5.004752e+06 4.960975e+06 1.680798e+06 1.371073e+07 4.435243e+06 3.293057e+06 6.132578e+06 4.231479e+06 4.173955e+06 1.122097e+07 1.209559e+07 4.384057e+06 1.043202e+07 8.159004e+06 8.464341e+06 4.896014e+06 2.919957e+06 4.705180e+06 4.491383e+06 2.676835e+06 1.054542e+06 4.463008e+06 6.503286e+06 4.381569e+06 3.045372e+06 4.350403e+06 7.292774e+06 6.080281e+06 2.875038e+06 1.247630e+07 1.876317e+06 5.591259e+06 3.593559e+06 4.774584e+06 4.560411e+06 1.828362e+06 4.871796e+06 6.390097e+06 7.745651e+06 3.913361e+06 6.801084e+06 3.869425e+06 4.392580e+06 4.716442e+06 2.807189e+06 5.171304e+06 3.304520e+06 2.670545e+06 4.360959e+06 5.318355e+06 3.749682e+06 3.370564e+06 3.975857e+06 5.139579e+06 4.471413e+06 6.452208e+06 3.951106e+06 5.079335e+06 7.009506e+06 6.539547e+06 3.819432e+06 4.671075e+06 4.484830e+06 8.435204e+06 5.169569e+06 7.049549e+06 3.634595e+06 7.232603e+06 4.665199e+06 2.897287e+06 2.713352e+06 8.876633e+05 3.609804e+06 9.980400e+06 5.045013e+06 C17 H38 Cl N6 O4 P S2_1.733 8.214608e+04 6.095183e+06 5.350462e+06 5.225905e+06 6.234519e+04 4.678410e+06 4.604440e+06 6.863813e+06 80263.60 4.908044e+06 5.227051e+06 5.714094e+06 64930.63 5.982229e+06 5.076335e+06 6.580338e+06 3.941920e+04 4.792789e+06 4.327735e+06 5.502064e+06 1.355487e+05 5.034146e+06 5.075800e+06 5.664931e+06 58069.687 5.812158e+06 6.769694e+06 6.346664e+06 6.512106e+04 3.439812e+06 4.869668e+06 5.731659e+06 54461.12 5.012199e+06 5.228137e+06 6.262352e+06 8.352987e+04 5.410397e+06 4.891076e+06 4.636750e+06 7.246972e+04 7.130197e+06 5.460770e+06 4.630539e+06 1.026803e+05 4.715934e+06 6.592590e+06 5.054920e+06 5.846305e+06 4.948445e+06 2.653809e+06 3.477711e+06 4.117942e+06 5.712540e+06 5.889368e+06 4.367267e+06 5.217062e+06 5.775581e+06 4.544337e+06 3.407688e+06 5.204579e+06 5.482334e+06 5.753009e+06 6.247916e+06 6.765973e+06 5.528187e+06 6.140345e+06 4.707829e+06 6.403029e+06 5.112498e+06 5.711189e+06 5.699349e+06 7.140521e+06 6.793286e+06 4.383222e+06 4.114329e+06 5.445442e+06 7.319396e+06 1.229343e+05 6.521537e+06 5.891872e+06 4.849235e+06 4.764228e+06 5.807494e+06 5.345037e+06 5.710011e+06 4.537325e+06 5.714762e+06 6.200878e+06 6.558011e+06 5.816937e+06 6.861485e+06 4.394430e+06 4.513399e+06 7.406269e+06 5.789327e+06 7.062920e+06 5.280396e+06 5.436940e+06 4.797722e+06 4.588896e+06 3.548453e+06 5.639957e+06 5.425990e+06 5.764376e+06 5.008378e+06 4.615155e+06 3.414875e+06 3.736374e+06 3.679310e+06 3.717522e+06 6.484837e+06 5.373604e+06 5.135543e+06 6.293528e+06 5.084305e+06 6.881408e+06 6.540907e+06 3.215416e+06 5.503726e+06 4.602572e+06 2.657384e+06 5.760174e+06 3.519216e+06 4.920369e+06 3.951198e+06 6.944177e+06 3.992985e+06 4.441564e+06 4.388969e+06 3.888900e+06 7.534966e+04 5.748793e+06 5.011496e+06 5.143164e+06 6.276764e+06 6.156224e+06 4.082626e+06 4.697011e+06 6.293869e+06 5.055635e+06 6.855171e+06 4.235065e+06 4.570612e+06 5.313773e+06 4.700092e+06 6.242237e+06 4.472583e+06 5.319959e+06 6.209564e+06 5.713658e+06 6.106436e+06 4.939653e+06 4.341215e+06 5.761356e+06 5.725363e+06 6.792241e+06 9.227989e+06 8.109693e+06 5.146683e+06 5.691448e+06 3.943416e+06 4.330340e+06 6.604143e+06 4.271814e+06 4.193926e+06 5.353639e+06 4.295667e+06 5.029207e+06 5.354557e+06 4.871509e+06 6.695896e+06 5.385272e+06 5.393391e+06 6.623991e+06 5.805134e+06 4.327785e+06 5.733542e+06 6.196039e+06 6.044524e+06 4.615091e+06 7.847816e+06 5.611913e+06 4.913515e+06 6.067977e+06 6.476832e+06 5.521947e+06 5.990693e+06 5.343939e+06 5.527245e+06 5.568436e+06 6.094336e+06 6.824256e+06 6.083943e+06 5.352227e+06 6.569032e+06 6.332197e+06 8.743472e+06 4.600701e+06 6.144182e+06 6.589733e+06 6.586566e+06 7.565879e+06 5.828856e+06 6.972094e+06 5.741420e+06 4.814968e+06 4.826242e+06 7.053635e+06 6.836937e+06 5.247320e+06 4.479596e+06 5.511388e+06 5.622448e+06 6.747943e+06 7.115080e+06 8.476487e+06 5.600724e+06 6.658089e+06 7.825392e+06 6.525610e+06 5.265745e+06 2.675354e+06 6.627556e+06 5.750803e+06 9.481431e+06 5.619590e+06 6.873337e+06 6.089590e+06 4.709230e+06 6.900653e+06 7.019682e+06 7.064773e+06 5.792920e+06 5.827915e+06 5.789458e+06 7.913747e+06 5.437433e+06 5.786470e+06 5.618504e+06 6.051953e+06 6.638930e+06 6.476333e+06 5.751531e+06 5.912726e+06 7.872369e+06 5.614904e+06 4.510682e+06 5.622844e+06 5.149054e+06 6.279840e+06 3.276303e+06 7.994103e+06 6.132068e+06 6.402458e+06 4.288426e+06 6.526986e+06 5.193659e+06 3.781027e+06 4.765195e+06 4.362378e+06 5.487960e+06 C11 H23 N O5_1.734 4.687646e+04 3.858853e+07 2.804413e+07 3.361203e+07 3.798621e+04 3.556443e+07 3.596507e+07 2.548461e+07 65646.78 3.328139e+07 4.142731e+07 3.541939e+07 55890.58 3.211927e+07 2.781203e+07 3.885801e+07 3.074202e+04 3.579018e+07 3.368904e+07 2.678511e+07 9.935985e+04 3.707489e+07 3.193857e+07 3.318858e+07 43925.035 3.767171e+07 3.565417e+07 3.244625e+07 3.984139e+04 3.478801e+07 3.334592e+07 3.406405e+07 41752.91 2.827623e+07 3.927814e+07 3.092929e+07 7.032762e+04 3.248575e+07 3.756971e+07 2.741021e+07 6.175001e+04 3.543537e+07 3.480986e+07 3.478334e+07 8.646541e+04 3.726089e+07 3.542109e+07 2.942041e+07 3.618067e+07 3.420770e+07 8.677076e+06 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2.977406e+07 3.288562e+07 2.493597e+07 3.934699e+07 4.435540e+07 3.989065e+07 2.896000e+07 2.811955e+07 3.335917e+07 4.559365e+07 3.741369e+07 2.799328e+07 3.653566e+07 3.923095e+07 3.862538e+07 4.403436e+07 3.426209e+07 2.589298e+07 4.000284e+07 3.298648e+07 5.445204e+07 2.221210e+07 4.134868e+07 3.455903e+07 3.552329e+07 3.208042e+07 3.427778e+07 3.840207e+07 4.026044e+07 3.242865e+07 3.511890e+07 3.542186e+07 3.695711e+07 3.743690e+07 3.852080e+07 3.849666e+07 3.985416e+07 3.268218e+07 4.379989e+07 3.137055e+07 2.981775e+07 3.621143e+07 3.668659e+07 2.917865e+07 4.090146e+07 3.899084e+07 2.955779e+07 3.731486e+07 3.430908e+07 3.622098e+07 2.627613e+07 3.035593e+07 3.298287e+07 2.633114e+07 3.307627e+07 2.024996e+07 4.120380e+07 C16 H23 N8 P_1.734 3.947259e+04 1.222440e+07 1.226555e+07 9.626220e+06 3.182572e+04 1.058279e+07 9.937245e+06 1.535522e+07 53985.16 8.972015e+06 1.099785e+07 1.168314e+07 49353.55 1.161299e+07 9.278040e+06 1.381988e+07 2.972289e+04 1.125446e+07 9.971911e+06 1.013738e+07 1.033655e+05 1.111736e+07 1.199747e+07 1.202297e+07 48541.369 1.020510e+07 1.350320e+07 1.253713e+07 4.614098e+04 8.190885e+06 1.065772e+07 1.419097e+07 46156.01 6.845504e+06 1.422682e+07 1.209937e+07 7.206174e+04 8.706831e+06 1.137694e+07 1.096699e+07 5.892389e+04 1.076827e+07 1.315326e+07 1.617019e+07 7.991514e+04 4.632051e+06 1.295630e+07 1.059570e+07 1.036577e+07 8.979519e+06 6.640849e+06 1.935458e+07 9.238379e+06 1.144019e+07 9.837784e+06 1.161269e+07 9.418304e+06 1.010523e+07 9.581501e+06 7.707735e+06 1.664909e+07 1.049234e+07 1.078415e+07 1.209453e+07 1.864763e+07 1.040300e+07 1.092043e+07 9.714139e+06 8.703596e+06 1.028517e+07 2.006555e+07 1.153213e+07 1.322753e+07 1.879750e+07 7.519059e+06 8.995969e+06 4.813647e+06 1.581276e+07 5.650657e+04 1.704991e+07 9.887963e+06 1.316933e+07 8.380364e+06 1.060828e+07 7.310280e+06 1.351987e+07 4.565069e+06 4.168402e+06 8.201765e+06 8.081280e+06 1.663535e+07 1.098742e+07 8.172699e+06 6.892379e+06 1.560262e+07 8.770135e+06 1.653282e+07 8.115370e+06 1.146224e+07 9.418053e+06 8.380352e+06 7.352104e+06 6.179796e+06 1.017740e+07 9.484002e+06 1.193010e+07 5.937668e+06 7.895464e+06 3.426345e+06 8.607390e+06 5.317619e+06 1.244499e+07 1.278829e+07 1.099846e+07 2.180541e+07 5.149253e+06 1.391739e+07 1.322087e+07 6.121142e+06 9.690319e+06 5.315951e+06 3.475152e+06 4.884206e+06 6.105190e+06 7.587513e+06 7.322139e+06 1.278187e+07 4.101280e+06 5.081446e+06 9.726092e+06 6.992738e+06 6.490721e+04 1.174814e+07 8.878268e+06 9.382025e+06 1.089019e+07 9.399734e+06 1.323791e+07 8.532904e+06 9.691490e+06 4.227002e+06 1.209662e+07 1.063936e+07 6.910590e+06 1.021513e+07 1.258242e+07 7.491664e+06 9.563919e+06 4.629328e+06 1.684074e+07 1.174472e+07 1.212542e+07 7.648957e+06 1.004468e+07 6.918558e+06 8.472966e+06 1.421865e+07 1.998856e+07 2.003928e+07 8.947269e+06 1.085640e+07 1.233200e+07 9.787467e+06 9.925684e+06 1.113585e+07 7.142444e+06 1.011994e+07 7.331493e+06 6.870778e+06 5.164850e+06 9.645064e+06 8.522206e+06 8.802313e+06 6.667906e+06 1.103736e+07 1.039879e+07 1.221189e+07 1.383350e+07 1.086464e+07 9.502651e+06 4.047185e+07 5.867127e+06 8.771523e+06 3.197626e+07 1.156058e+07 2.376944e+07 5.289621e+06 1.003119e+07 3.019505e+07 4.184015e+06 2.542780e+07 1.336242e+07 1.248046e+07 1.148045e+07 2.979465e+07 1.252753e+07 4.363013e+07 3.002941e+07 7.107125e+06 3.254943e+07 3.239832e+07 3.465554e+07 1.139281e+07 7.060714e+06 1.229924e+07 1.057824e+07 1.107558e+07 7.434823e+06 1.414001e+07 1.486081e+07 1.064134e+07 6.655940e+06 8.745655e+06 7.166965e+06 1.497688e+07 2.197902e+07 4.271277e+07 1.353989e+07 2.897730e+07 1.221268e+07 1.056903e+07 9.530550e+06 6.668522e+06 1.458242e+07 1.922793e+07 2.897649e+07 2.334308e+07 1.922286e+07 1.413267e+07 9.494444e+06 1.302073e+07 1.187818e+07 1.756560e+07 1.308877e+07 1.154679e+07 1.200706e+07 1.228720e+07 1.270887e+07 9.796456e+06 1.045604e+07 1.478049e+07 1.348801e+07 2.136364e+07 1.730897e+07 1.988073e+07 2.275041e+07 2.120987e+07 1.724468e+07 9.835912e+06 1.161101e+07 2.221487e+07 9.794685e+06 1.915618e+07 5.609078e+06 2.996875e+07 8.973385e+06 7.982984e+06 8.271078e+06 4.081057e+06 1.238713e+07 1.440056e+07 1.303727e+07 C26 H38 O4 S_1.734 4.568180e+04 7.780660e+05 8.784517e+05 5.374398e+05 4.028105e+04 1.007590e+06 4.871349e+05 8.569382e+05 126348.52 6.472414e+05 7.154368e+05 7.837655e+05 159405.39 7.069044e+05 5.302097e+05 1.087574e+06 9.083746e+04 8.334473e+05 7.554872e+05 7.502546e+05 3.031907e+05 7.069471e+05 7.304399e+05 6.934692e+05 136203.808 7.635789e+05 5.663555e+05 9.753188e+05 1.154957e+05 8.193285e+05 7.621495e+05 9.239471e+05 112800.27 5.451690e+05 7.176471e+05 5.096927e+05 1.604690e+05 8.988766e+05 7.969032e+05 8.410477e+05 1.259896e+05 7.026713e+05 5.498261e+05 1.124678e+06 1.675125e+05 6.554706e+05 7.869346e+05 6.401484e+05 9.021302e+05 1.204977e+06 3.553432e+05 4.629806e+05 7.665310e+05 8.263332e+05 9.963976e+05 2.990893e+05 6.131195e+05 1.329412e+06 1.903574e+06 1.376811e+06 1.804561e+06 1.672440e+06 9.392394e+05 7.944403e+05 3.430153e+05 4.904201e+05 8.274611e+05 7.052099e+05 8.928130e+05 8.638976e+05 4.779736e+05 6.465681e+05 5.831918e+05 5.114692e+05 7.326591e+05 3.816823e+05 8.301232e+05 1.167004e+06 1.859200e+06 6.622547e+05 1.656837e+06 7.048252e+05 4.016842e+05 4.508559e+05 5.474453e+05 4.143596e+05 5.302473e+05 2.537264e+05 7.763739e+05 8.906519e+05 5.434504e+05 4.514276e+05 6.343525e+05 7.869507e+05 6.293719e+05 5.239662e+05 6.276771e+05 1.498717e+06 3.992920e+05 6.145955e+05 1.420205e+06 6.090443e+05 1.614177e+06 7.896881e+05 6.120049e+05 2.201315e+06 3.540949e+05 8.118996e+05 4.906502e+05 4.196443e+05 3.750889e+05 4.648371e+05 8.665955e+05 6.225759e+05 7.973892e+05 8.719637e+05 1.082235e+06 9.551325e+05 5.956985e+05 2.202057e+06 6.592183e+05 1.886089e+05 4.985463e+05 3.950301e+06 1.056292e+06 1.875276e+06 1.557947e+06 1.052754e+06 2.057791e+06 8.369666e+05 7.189265e+05 1.762687e+05 6.350936e+05 5.234888e+05 1.096164e+06 6.277548e+05 6.105541e+05 1.777881e+06 8.003773e+05 5.412656e+05 8.794242e+05 1.191490e+06 7.589245e+05 3.324607e+05 8.265192e+05 7.214717e+05 6.254098e+05 5.446026e+05 6.048000e+06 1.008714e+06 1.777653e+06 5.229803e+05 4.960261e+05 5.042607e+05 5.094163e+05 7.338193e+05 2.123894e+06 6.301124e+05 4.601821e+05 3.382930e+06 1.095077e+06 6.853544e+05 5.566745e+05 9.352567e+05 9.308568e+05 7.845096e+05 5.933569e+05 5.748353e+05 4.818619e+05 6.659044e+05 7.223536e+05 9.033598e+05 1.887592e+06 2.295743e+06 9.033119e+05 3.230073e+05 4.415510e+05 7.282957e+05 9.381665e+05 7.867847e+05 1.542744e+06 2.478999e+06 6.101158e+05 7.388111e+05 6.282770e+05 6.142140e+05 6.484417e+05 5.520087e+05 7.013463e+05 3.486815e+05 6.167273e+05 8.759514e+05 7.327590e+05 7.119616e+05 1.279794e+06 4.627156e+05 1.325996e+06 1.154284e+06 5.683918e+05 4.831889e+05 4.464540e+05 5.961436e+05 1.039206e+06 4.766310e+05 4.936587e+05 3.697646e+05 3.822983e+05 1.783119e+05 8.167837e+05 4.433072e+05 4.884011e+05 5.110070e+05 5.064101e+05 7.055426e+05 4.132909e+05 8.288636e+05 1.092497e+06 3.358641e+05 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3.793011e+06 4.709777e+05 4.782629e+05 5.428872e+05 6.861202e+05 8.204975e+05 8.783056e+05 5.682991e+05 8.242683e+05 5.944561e+05 5.815499e+05 4.643945e+05 4.801326e+05 1.826883e+06 1.057536e+06 1.448058e+06 2.950805e+06 4.156295e+06 2.686199e+06 5.279308e+05 1.043015e+07 7.316848e+05 7.498374e+05 7.320418e+05 5.626588e+05 7.266128e+05 1.546017e+06 1.075448e+06 5.357048e+05 5.501664e+05 7.471726e+05 7.322450e+05 1.830506e+06 7.447225e+05 5.717094e+05 6.788609e+05 8.312784e+05 5.940249e+05 4.670645e+05 6.417583e+05 5.369009e+05 4.672576e+05 7.603271e+05 5.412871e+05 9.099893e+05 5.077399e+05 4.802306e+05 6.305845e+05 6.039085e+05 6.209013e+05 5.760628e+05 6.274084e+05 C19 H27 N3 O2 S_1.737 4.841653e+04 2.364207e+06 1.685974e+06 2.079684e+06 3.836537e+04 1.918188e+06 1.315200e+06 2.837370e+06 58234.81 1.573093e+06 2.008874e+06 2.112691e+06 50606.90 2.183793e+06 1.772937e+06 2.232793e+06 3.276828e+04 1.908646e+06 1.706047e+06 1.843039e+06 1.222842e+05 1.979676e+06 1.973614e+06 2.078029e+06 57085.303 1.743201e+06 2.662794e+06 2.217099e+06 5.379148e+04 1.377509e+06 2.118045e+06 2.115269e+06 70387.72 1.524396e+06 1.992299e+06 2.674327e+06 9.195913e+04 1.361662e+06 1.867120e+06 2.159500e+06 7.030977e+04 1.636798e+06 1.885929e+06 2.653583e+06 8.945648e+04 1.964459e+06 2.296320e+06 1.378750e+06 1.403178e+06 1.255684e+06 5.208926e+05 3.559252e+06 1.888960e+06 1.648390e+06 1.520044e+06 1.453779e+06 1.447351e+06 1.973030e+06 1.709002e+06 2.005845e+06 2.345243e+06 1.807297e+06 1.684910e+06 2.372090e+06 2.910448e+06 2.109003e+06 1.900657e+06 2.623487e+06 1.655606e+06 1.752180e+06 3.800803e+06 1.869855e+06 2.669221e+06 3.449376e+06 1.408013e+06 1.063527e+06 1.120442e+06 3.219057e+06 6.035274e+04 3.245781e+06 1.640076e+06 2.534582e+06 1.431036e+06 1.840096e+06 7.580362e+05 1.871495e+06 7.676973e+05 3.438644e+05 1.458271e+06 1.690055e+06 2.352748e+06 1.830588e+06 1.029262e+06 9.212093e+05 2.492962e+06 1.149267e+06 3.236152e+06 1.641803e+06 2.228331e+06 1.471282e+06 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5.193542e+06 1.787781e+06 1.552886e+06 1.132340e+06 5.095783e+05 2.462698e+06 2.045455e+06 2.283783e+06 2-Oxo-6-pentyltetrahydro-2H-pyran-3-carboxylic acid_1.738 4.164475e+05 7.855496e+08 7.061161e+08 6.677917e+08 2.188901e+05 6.922782e+08 7.118798e+08 8.879467e+08 325331.98 6.152393e+08 6.681204e+08 7.698036e+08 272105.20 8.220836e+08 5.632242e+08 9.201275e+08 1.579257e+05 6.843805e+08 6.598694e+08 7.172516e+08 5.470920e+05 7.201310e+08 6.397704e+08 8.206046e+08 249701.817 6.565367e+08 8.225957e+08 7.694119e+08 2.148246e+05 5.632209e+08 7.797882e+08 8.893075e+08 252362.24 5.773014e+08 7.532662e+08 7.937652e+08 3.596173e+05 6.165276e+08 7.358265e+08 7.265228e+08 3.035033e+05 5.634960e+08 6.829144e+08 7.699214e+08 3.759167e+05 9.767270e+08 7.519464e+08 5.596670e+08 4.866398e+08 5.642292e+08 3.617188e+08 8.685537e+08 5.765857e+08 5.962091e+08 6.824459e+08 6.012053e+08 7.583198e+08 7.976909e+08 8.057299e+08 6.301804e+08 8.525421e+08 6.373065e+08 6.463883e+08 8.457747e+08 8.372006e+08 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7.642291e+05 6.401711e+05 5.309876e+05 5.684420e+05 5.111255e+05 4.863720e+05 3.960390e+05 1.249537e+06 5.951550e+05 5.392972e+05 5.633007e+05 1.534147e+06 2.693603e+05 5.585391e+05 6.486055e+05 3.434512e+05 1.079170e+06 C15 H24 O8_1.741 2.537760e+05 3.219204e+07 3.813692e+07 3.604724e+07 1.695923e+05 3.467325e+07 3.069099e+07 4.254295e+07 268887.50 3.090591e+07 3.960213e+07 3.717121e+07 246044.94 3.763739e+07 2.901487e+07 4.458224e+07 1.579444e+05 2.672163e+07 3.540092e+07 3.480118e+07 5.322931e+05 3.388493e+07 3.101878e+07 3.707360e+07 220627.204 3.795998e+07 4.002477e+07 3.727757e+07 1.847133e+05 3.106119e+07 3.568943e+07 4.118462e+07 231356.97 2.466641e+07 4.164339e+07 3.556893e+07 3.229272e+05 3.002917e+07 3.749682e+07 3.582129e+07 2.808066e+05 3.038898e+07 3.735804e+07 4.847365e+07 3.982995e+05 2.421403e+07 4.563254e+07 2.566091e+07 2.476091e+07 1.596331e+07 9.252326e+06 3.812146e+07 2.371533e+07 2.379271e+07 2.663128e+07 1.990330e+07 2.245123e+07 2.754686e+07 2.815890e+07 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3.380064e+07 5.877800e+07 2.900446e+07 1.917956e+08 4.826040e+07 7.060111e+07 3.622199e+07 3.130818e+07 3.291931e+07 3.336201e+07 5.011295e+07 5.979755e+07 6.788662e+07 3.861902e+07 4.937202e+07 5.134392e+07 3.929920e+07 4.884504e+07 3.289242e+07 4.749261e+07 5.211486e+07 3.173978e+07 4.842903e+07 5.305279e+07 3.739772e+07 3.904548e+07 2.538755e+07 2.575857e+07 3.344948e+07 3.766063e+07 4.302072e+07 3.408715e+07 3.043747e+07 2.440064e+07 2.345009e+07 2.516330e+07 3.221635e+07 3.853433e+07 1.836794e+07 4.936887e+07 2.485245e+07 5.400228e+07 1.689035e+07 1.279742e+07 1.512003e+07 1.453750e+07 3.163848e+07 2.718019e+07 3.932895e+07 C9 H14 N6 O3_1.741 4.694576e+04 3.956018e+07 3.169400e+07 2.736704e+07 3.781134e+04 3.079195e+07 3.197018e+07 3.997604e+07 65260.60 2.893676e+07 4.454594e+07 3.406073e+07 67159.08 2.199583e+07 3.166340e+07 4.168764e+07 4.535315e+04 2.730328e+07 3.939224e+07 2.556737e+07 1.566228e+05 2.319369e+07 3.729110e+07 4.088186e+07 60718.873 2.398676e+07 4.727128e+07 4.131265e+07 5.185723e+04 1.917275e+07 2.805722e+07 4.207187e+07 61431.10 1.879144e+07 4.258445e+07 3.873343e+07 8.161552e+04 1.784135e+07 5.247157e+07 3.425743e+07 8.382054e+04 1.655453e+07 4.554750e+07 3.139710e+07 1.442624e+05 1.285333e+07 5.415536e+07 2.595190e+07 4.225921e+07 3.541150e+07 2.752544e+07 2.754858e+07 3.591205e+07 2.950602e+07 4.167317e+07 1.087870e+07 3.454154e+07 4.053160e+07 3.437776e+07 2.447342e+07 4.503674e+07 3.271756e+07 3.295515e+07 2.232175e+07 2.339296e+07 3.085371e+07 4.444031e+07 3.206134e+07 4.160160e+07 3.446749e+07 4.021310e+07 4.464923e+07 5.698542e+07 4.162081e+07 3.982581e+07 4.289584e+07 3.616006e+07 4.945851e+07 6.990611e+05 3.787349e+07 3.906765e+07 4.262445e+07 2.132882e+07 4.507170e+07 4.490222e+07 4.900012e+07 2.168691e+07 3.017038e+07 4.716834e+07 4.114488e+07 2.579392e+07 3.802059e+07 3.614209e+07 3.628092e+07 2.736471e+07 4.300619e+07 3.773133e+07 2.181979e+07 2.537761e+07 2.144286e+07 4.110898e+07 3.459443e+07 3.467991e+07 3.870864e+07 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5.474673e+07 3.851546e+07 1.950761e+07 3.903918e+07 3.938059e+07 2.677135e+07 3.443017e+07 3.090841e+07 2.191300e+07 1.909909e+07 4.274285e+07 3.243528e+07 4.537904e+07 3.228003e+07 4.365792e+07 4.306147e+07 3.776196e+07 2.437131e+07 5.276384e+07 4.306270e+07 3.791018e+07 4.172875e+07 4.489043e+07 4.378166e+07 3.247539e+07 3.795477e+07 2.260228e+07 5.280908e+07 4.244941e+07 3.611064e+07 3.060659e+07 3.471298e+07 4.489596e+07 6.864227e+07 4.615331e+07 4.542114e+07 4.526797e+07 4.059604e+07 5.122122e+07 4.726888e+07 2.519984e+07 1.797166e+07 6.217642e+07 4.551459e+07 3.792789e+07 3.814319e+07 5.201907e+07 4.381962e+07 3.285262e+07 4.304234e+07 4.643601e+07 4.170201e+07 5.178722e+07 2.375834e+07 3.888003e+07 4.039138e+07 4.429249e+07 3.856379e+07 3.775165e+07 3.438403e+07 4.507916e+07 3.976491e+07 2.319481e+07 3.079674e+07 3.151621e+07 3.771512e+07 5.662544e+07 4.236429e+07 1.825657e+07 4.121422e+07 3.565078e+07 4.764466e+07 4.112215e+07 2.186906e+07 2.979400e+07 3.691248e+07 4.017455e+07 3.119952e+07 2.627419e+07 1.698971e+07 4.549354e+07 C20 H34 O9_1.741 1.853303e+05 5.031962e+06 6.441927e+06 5.814523e+06 1.459792e+05 6.162613e+06 5.074565e+06 8.267976e+06 228871.55 5.281898e+06 5.593969e+06 6.787324e+06 219486.57 6.201481e+06 4.113719e+06 7.313864e+06 1.459827e+05 5.712597e+06 5.072720e+06 6.659535e+06 5.201888e+05 5.541851e+06 5.410630e+06 5.953366e+06 232155.149 6.055727e+06 6.795007e+06 6.775952e+06 1.955177e+05 5.079616e+06 5.878198e+06 7.141247e+06 245916.66 4.008466e+06 6.313811e+06 6.721851e+06 3.226431e+05 5.094110e+06 6.117763e+06 6.014075e+06 2.640929e+05 5.154719e+06 6.062670e+06 9.506524e+06 3.540110e+05 3.161602e+06 6.487223e+06 5.342556e+06 7.369104e+06 4.626474e+06 3.150309e+06 4.365423e+06 3.764878e+06 8.797934e+06 6.140527e+06 4.514986e+06 5.681767e+06 7.440544e+06 7.517706e+06 5.271207e+06 1.172677e+07 8.605293e+06 7.034848e+06 6.060407e+06 4.775469e+06 2.274924e+06 7.438727e+06 6.702540e+06 7.088321e+06 4.785499e+06 4.720486e+06 5.945894e+06 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4.023033e+06 5.291573e+06 69630.95 3.526933e+06 3.641201e+06 4.601565e+06 57412.20 3.983342e+06 3.147470e+06 4.016146e+06 3.398188e+04 4.359584e+06 3.808768e+06 3.857031e+06 1.150228e+05 3.816873e+06 3.667701e+06 4.863284e+06 52654.648 3.285588e+06 4.752585e+06 4.220456e+06 4.702620e+04 2.680913e+06 4.620697e+06 5.350377e+06 63302.55 1.982628e+06 4.892050e+06 4.616614e+06 9.515043e+04 2.920788e+06 2.799240e+06 4.897119e+06 7.750159e+04 3.275687e+06 4.419498e+06 5.831327e+06 9.794080e+04 2.303674e+06 4.511976e+06 3.453758e+06 1.159706e+06 8.714120e+06 1.958194e+06 4.685978e+06 1.378188e+06 4.781104e+07 1.275852e+05 1.636556e+05 7.216724e+05 1.895103e+05 3.779471e+06 4.491283e+06 5.877253e+06 1.748685e+06 1.659038e+07 2.539610e+06 2.277485e+06 4.322292e+06 8.457309e+06 5.127060e+05 2.931302e+06 2.234878e+07 5.929023e+05 1.355515e+05 1.109902e+07 1.118114e+07 5.902855e+05 1.133320e+05 4.086239e+06 5.746627e+05 6.497380e+04 3.810259e+06 2.202577e+05 7.150076e+06 1.506096e+06 8.772970e+05 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6.821983e+06 4.500368e+05 2.931885e+06 5.489084e+07 1.987037e+07 2.670634e+07 2.437751e+07 9.610478e+06 2.623812e+07 1.440545e+07 5.084509e+05 2.597945e+07 1.516227e+06 5.644309e+05 5.649833e+06 3.241258e+05 4.163610e+06 2.313444e+05 3.578125e+05 3.535975e+05 6.147200e+05 8.242357e+05 3.219052e+07 3.385542e+07 C32 H39 Cl N2 O10_1.741 1.226918e+05 1.399832e+06 8.505768e+05 1.085009e+06 8.755001e+04 1.049439e+06 1.007533e+06 1.273678e+06 89949.39 9.184538e+05 9.848014e+05 8.935565e+05 61955.22 1.572048e+06 1.304939e+06 1.342622e+06 3.534605e+04 6.934219e+05 6.398264e+05 9.294328e+05 1.160749e+05 1.792788e+06 1.053238e+06 9.656006e+05 53300.258 7.188770e+05 1.576090e+06 1.597466e+06 4.323181e+04 6.836448e+05 8.021628e+05 9.299102e+05 48117.43 1.284849e+06 8.893206e+05 1.016935e+06 5.282295e+04 1.457153e+06 1.091625e+06 1.153789e+06 4.830022e+04 1.328622e+06 7.793862e+05 1.012201e+06 8.343016e+04 9.005773e+05 1.712771e+06 7.676079e+05 5.654416e+05 5.011274e+05 1.970768e+05 4.674732e+05 7.062865e+05 7.132357e+05 1.564054e+06 7.547958e+05 6.311632e+05 7.054811e+05 4.548777e+05 9.358723e+05 3.979709e+05 8.123189e+05 9.585322e+05 1.060793e+06 9.392014e+05 5.510001e+05 6.941762e+05 7.220163e+05 9.633429e+05 8.219135e+05 1.908056e+06 8.149186e+05 1.137423e+06 2.268234e+06 5.292325e+05 8.802601e+05 5.914381e+05 1.854963e+06 6.684911e+04 1.539428e+06 8.763370e+05 8.143637e+05 6.146228e+05 7.134384e+05 8.791705e+05 1.004651e+06 3.765582e+05 6.320016e+05 1.518798e+06 8.160092e+05 9.340903e+05 1.526456e+06 6.606969e+05 5.830480e+05 1.323039e+06 8.513474e+05 1.398365e+06 6.958783e+05 9.338337e+05 6.206238e+05 5.333920e+05 4.278676e+05 8.372226e+05 6.889094e+05 3.081507e+05 9.919984e+05 5.233189e+05 5.223905e+05 6.099050e+05 5.864214e+05 6.350360e+05 1.223583e+06 1.110318e+06 7.744334e+05 2.536298e+06 8.861699e+05 1.068624e+06 1.007231e+06 4.536185e+05 9.207491e+05 3.357118e+05 3.134891e+05 3.925287e+05 3.752133e+05 8.641916e+05 5.136245e+05 1.258758e+06 6.932869e+05 4.613927e+05 7.603659e+05 6.567653e+05 4.861540e+04 4.731604e+05 6.975831e+05 1.147079e+06 1.059207e+06 7.413008e+05 8.496211e+05 6.943645e+05 8.703889e+05 5.107892e+05 9.372782e+05 8.502099e+05 7.850920e+05 1.314975e+06 1.000069e+06 7.266624e+05 5.180155e+05 5.923978e+05 1.245096e+06 9.172613e+05 1.512027e+06 9.118445e+05 5.075789e+05 7.678746e+05 1.029826e+06 9.920914e+05 2.498790e+06 2.298232e+06 5.674516e+05 9.346212e+05 7.221358e+05 4.628726e+05 8.170661e+05 3.516422e+05 5.847139e+05 8.463110e+05 5.099117e+05 5.221961e+05 8.507510e+05 8.532403e+05 8.150942e+05 5.343726e+05 6.043504e+05 1.381742e+06 8.344967e+05 6.500617e+05 7.416915e+05 7.309886e+05 8.616223e+05 1.504750e+06 5.980903e+05 7.470164e+05 1.807523e+06 1.352537e+06 1.351784e+06 6.292986e+05 1.070763e+06 1.543764e+06 5.312515e+05 1.761642e+06 1.079034e+06 1.000199e+06 1.100806e+06 1.194676e+06 1.525790e+06 1.191037e+06 2.498126e+06 6.963909e+05 2.135823e+06 1.711641e+06 2.702664e+06 7.846318e+05 6.334218e+05 1.837900e+06 1.502107e+06 1.610255e+06 7.527434e+05 1.340042e+06 1.205998e+06 1.495852e+06 5.131468e+05 8.717832e+05 8.697885e+05 1.916450e+06 1.230973e+06 1.367381e+06 5.951080e+05 3.640484e+06 1.390234e+06 5.248285e+05 4.331818e+05 4.121218e+05 8.516683e+05 1.993148e+06 1.989219e+06 1.113857e+06 6.089768e+05 1.237708e+06 9.981074e+05 1.691905e+06 9.186845e+05 1.181425e+06 8.495766e+05 1.033105e+06 7.328251e+05 1.416130e+06 6.356602e+05 8.086522e+05 1.196521e+06 1.207254e+06 1.220671e+06 1.904558e+06 1.418088e+06 1.703736e+06 2.522690e+06 1.848783e+06 8.771368e+05 6.762712e+05 2.183569e+06 1.072108e+06 5.654041e+05 2.144751e+06 7.579176e+05 2.120166e+06 4.468030e+05 1.066524e+06 7.062201e+05 3.175752e+05 5.869553e+05 1.296320e+06 1.027298e+06 C14 H23 N3 O4_1.741 6.637664e+05 2.791728e+07 2.581425e+07 2.271206e+07 1.122688e+05 2.366203e+07 2.280262e+07 3.433387e+07 178214.57 2.005778e+07 2.568817e+07 2.698836e+07 188477.56 2.667308e+07 1.962252e+07 3.087538e+07 1.136530e+05 2.546495e+07 2.405302e+07 2.405974e+07 3.760604e+05 2.385687e+07 2.380256e+07 2.663880e+07 174859.037 2.478052e+07 2.777873e+07 2.861562e+07 1.470920e+05 2.190190e+07 2.568924e+07 3.115845e+07 179921.89 1.654743e+07 2.820976e+07 2.755922e+07 2.395248e+05 2.103583e+07 2.753845e+07 2.573606e+07 1.989665e+05 1.987013e+07 2.553915e+07 3.166969e+07 2.656339e+05 2.595084e+07 2.805672e+07 1.947647e+07 2.314729e+07 1.990403e+07 1.051305e+07 3.637151e+07 2.226288e+07 2.172350e+07 2.831649e+07 2.373092e+07 2.371707e+07 2.464750e+07 2.800202e+07 2.871439e+07 3.522319e+07 2.415635e+07 2.175006e+07 2.749539e+07 3.858393e+07 2.098835e+07 2.725970e+07 2.380438e+07 2.312039e+07 2.716472e+07 5.153349e+07 3.155836e+07 3.299929e+07 4.560156e+07 1.940295e+07 2.147442e+07 1.854903e+07 3.543816e+07 3.632817e+06 3.557042e+07 2.404224e+07 3.321551e+07 1.630826e+07 2.057071e+07 1.734011e+07 2.368522e+07 9.180424e+06 8.944326e+06 2.254563e+07 2.042139e+07 3.278928e+07 2.416175e+07 1.895420e+07 1.676734e+07 2.544345e+07 2.244350e+07 3.268634e+07 1.741282e+07 2.817882e+07 2.012506e+07 1.894962e+07 2.144118e+07 1.525683e+07 2.068878e+07 1.908826e+07 3.047367e+07 1.498881e+07 2.347638e+07 8.277876e+06 2.032827e+07 1.812021e+07 3.326024e+07 2.788023e+07 2.395964e+07 4.118917e+07 1.430196e+07 3.570575e+07 2.736029e+07 1.490339e+07 2.122274e+07 1.219934e+07 9.614219e+06 1.060592e+07 1.667931e+07 1.544902e+07 1.584979e+07 3.025985e+07 1.591484e+07 1.258900e+07 2.108336e+07 1.768540e+07 2.426891e+05 2.009331e+07 2.463750e+07 2.163752e+07 2.421712e+07 2.126827e+07 2.952426e+07 1.663617e+07 2.389404e+07 9.496614e+06 2.664755e+07 2.863842e+07 1.328571e+07 1.982721e+07 2.712409e+07 1.887300e+07 2.015602e+07 1.616558e+07 3.252497e+07 2.313178e+07 3.212550e+07 1.653880e+07 1.969577e+07 1.741792e+07 1.961283e+07 2.464075e+07 3.327687e+07 4.446380e+07 1.956758e+07 2.113516e+07 2.480633e+07 2.193011e+07 2.400959e+07 2.275305e+07 1.729274e+07 2.036221e+07 2.092302e+07 1.809715e+07 1.568814e+07 2.242641e+07 2.071261e+07 1.742721e+07 1.734301e+07 2.926896e+07 2.302649e+07 2.463471e+07 2.924358e+07 2.933048e+07 2.850827e+07 9.233915e+07 1.188198e+07 1.812098e+07 6.179762e+07 2.638186e+07 1.614352e+07 1.714916e+07 2.267175e+07 7.378586e+07 1.135782e+07 7.601435e+07 2.965637e+07 1.986151e+07 3.149069e+07 5.448156e+07 2.443924e+07 8.052355e+07 8.093517e+07 1.653463e+07 8.141662e+07 6.861735e+07 8.047177e+07 2.155869e+07 1.628576e+07 2.867902e+07 2.114521e+07 2.509396e+07 1.405295e+07 2.791473e+07 3.267218e+07 1.990350e+07 1.508112e+07 1.913078e+07 2.290456e+07 3.297084e+07 2.955671e+07 8.318494e+07 1.559637e+07 6.387962e+07 2.646893e+07 2.107159e+07 1.778181e+07 1.709514e+07 3.033535e+07 4.134523e+07 4.820766e+07 1.796974e+07 3.790695e+07 2.945325e+07 2.147748e+07 3.024076e+07 2.291711e+07 2.963041e+07 2.883074e+07 2.204870e+07 2.044453e+07 2.846461e+07 2.239471e+07 1.960280e+07 1.956039e+07 3.395603e+07 2.853947e+07 4.187501e+07 3.916012e+07 3.262929e+07 4.958893e+07 4.430809e+07 3.767961e+07 2.551426e+07 4.539890e+07 4.553024e+07 1.727829e+07 4.131697e+07 2.075863e+07 6.974182e+07 2.789824e+07 1.845111e+07 1.678203e+07 8.752158e+06 2.601686e+07 3.857077e+07 3.093780e+07 C11 H14 O2_1.741 6.329292e+04 4.165095e+06 4.033902e+06 3.613127e+06 9.492526e+04 3.898110e+06 3.948902e+06 5.164575e+06 87024.39 1.888625e+06 4.045707e+06 4.750497e+06 73251.22 4.262022e+06 3.348160e+06 4.119582e+06 5.557034e+04 3.540330e+06 3.848066e+06 4.208855e+06 1.394343e+05 3.811480e+06 3.509654e+06 4.356133e+06 65095.503 3.639495e+06 4.724478e+06 4.337358e+06 6.434078e+04 3.773571e+06 2.012790e+06 4.725205e+06 79546.69 3.447502e+06 4.396674e+06 4.145603e+06 9.981435e+04 3.398486e+06 4.429141e+06 3.603025e+06 7.957501e+04 3.283885e+06 4.434661e+06 6.302995e+06 1.118869e+05 1.873480e+06 3.800986e+06 3.829504e+06 3.461482e+06 4.285439e+06 1.002838e+06 6.173750e+06 4.924846e+06 3.826485e+06 4.421752e+06 4.106969e+06 5.330682e+06 4.859032e+06 5.787306e+06 4.711612e+06 6.689670e+06 1.300463e+06 5.133103e+06 6.126704e+06 5.707778e+06 3.221850e+06 4.283583e+06 4.711172e+06 4.550996e+06 4.796778e+06 5.967729e+06 4.981559e+06 6.961034e+06 5.993121e+06 3.461325e+06 2.554863e+06 2.657963e+06 4.269761e+06 1.267551e+05 4.715125e+06 1.955248e+06 4.391981e+06 3.459215e+06 3.100698e+06 3.663144e+06 3.814315e+06 2.192188e+06 2.259899e+06 3.585119e+06 3.540619e+06 6.468309e+06 3.603457e+06 4.795073e+06 1.851025e+06 2.097103e+06 2.148385e+06 4.849676e+06 2.615125e+06 4.119963e+06 2.021100e+06 3.498557e+06 3.382363e+06 2.527723e+06 4.716266e+06 4.512155e+06 5.319088e+06 1.984832e+06 4.330573e+06 2.453941e+06 3.139753e+06 3.041105e+06 4.317677e+06 5.319248e+06 2.220534e+06 4.866574e+06 2.883592e+06 4.163643e+06 3.610963e+06 2.936160e+06 4.722372e+06 1.384106e+06 1.897880e+06 1.795644e+06 3.595857e+06 1.975035e+06 3.508498e+06 5.637524e+06 1.614623e+06 2.711798e+06 3.638466e+06 3.673776e+06 1.025763e+05 3.079844e+06 4.335424e+06 3.568729e+06 3.910486e+06 4.553123e+06 4.870599e+06 3.763523e+06 4.290458e+06 1.945736e+06 4.751952e+06 4.967234e+06 2.457215e+06 3.858639e+06 5.331765e+06 1.991629e+06 4.298492e+06 5.055265e+06 5.630494e+06 4.518885e+06 4.797437e+06 1.719462e+06 3.716468e+06 3.228383e+06 4.619382e+06 4.152491e+06 7.116522e+06 7.424994e+06 4.120290e+06 4.440383e+06 4.563128e+06 3.916013e+06 4.321348e+06 4.816126e+06 2.979540e+06 3.685530e+06 3.918800e+06 3.019223e+06 3.421380e+06 4.115628e+06 4.460212e+06 3.395267e+06 3.098445e+06 4.639500e+06 4.103062e+06 6.180755e+06 2.710883e+06 5.444269e+06 5.547865e+06 1.806641e+06 4.721079e+06 3.210473e+06 1.855050e+06 3.932378e+06 4.885142e+06 3.841955e+06 3.976025e+06 5.999343e+06 3.252959e+06 4.954208e+06 4.851647e+06 5.425537e+06 2.688447e+06 6.846755e+06 4.180739e+06 8.676574e+06 6.769116e+06 4.594195e+06 6.004224e+06 5.997231e+06 7.127111e+06 4.541540e+06 4.520454e+06 5.171894e+06 3.586044e+06 5.491944e+06 3.144294e+06 6.094397e+06 4.647787e+06 2.403877e+06 4.129046e+06 4.202359e+06 5.736481e+06 5.458671e+06 2.702019e+06 2.551110e+06 5.758572e+06 3.620290e+06 4.780257e+06 5.014044e+06 2.571142e+06 3.669477e+06 5.287641e+06 5.140844e+06 8.849646e+06 4.668736e+06 6.535714e+06 4.297282e+06 4.731448e+06 4.118812e+06 4.930840e+06 4.347710e+06 4.260046e+06 4.758361e+06 1.808175e+06 4.302406e+06 3.973675e+06 4.472899e+06 3.640984e+06 5.925321e+06 3.985679e+06 5.055402e+06 4.466508e+06 4.292966e+06 4.595341e+06 2.802657e+06 5.572573e+06 4.071308e+06 2.410840e+06 5.235357e+06 4.903946e+06 3.767717e+06 2.068575e+06 7.222641e+06 2.469680e+06 3.050540e+06 3.231985e+06 2.700401e+06 4.337460e+06 2.343339e+06 3.278050e+06 Hexyl 2-furoate_1.741 1.760068e+05 2.535633e+07 2.126467e+07 2.245829e+07 1.809401e+05 2.192064e+07 2.185868e+07 2.940174e+07 214033.55 1.846475e+07 2.382249e+07 2.349527e+07 184308.73 2.402242e+07 2.000029e+07 2.565606e+07 1.062667e+05 2.325904e+07 2.173089e+07 2.292566e+07 3.511368e+05 2.285652e+07 2.006932e+07 2.644160e+07 156103.493 2.194558e+07 2.587434e+07 2.513766e+07 1.418014e+05 1.841729e+07 2.260065e+07 2.917095e+07 177699.72 1.635728e+07 2.480840e+07 2.406628e+07 2.355937e+05 1.984367e+07 2.429946e+07 2.552479e+07 2.034353e+05 1.859356e+07 2.577586e+07 3.080774e+07 2.873739e+05 1.260783e+07 2.790768e+07 2.043581e+07 1.666855e+07 2.117377e+07 8.966155e+06 3.163139e+07 1.796645e+07 1.948813e+07 2.499912e+07 2.216256e+07 2.587467e+07 2.704664e+07 2.827450e+07 2.128150e+07 3.002566e+07 2.190912e+07 2.531655e+07 2.985867e+07 3.124674e+07 1.928025e+07 2.538904e+07 2.588536e+07 2.352510e+07 2.409993e+07 3.404307e+07 2.982230e+07 3.584716e+07 2.955262e+07 1.999200e+07 1.968590e+07 1.840182e+07 2.685440e+07 4.357596e+07 2.923736e+07 2.345368e+07 2.541232e+07 1.851599e+07 2.365556e+07 2.119306e+07 2.405434e+07 1.192196e+07 1.273214e+07 2.217213e+07 2.437005e+07 3.076762e+07 2.087657e+07 2.453255e+07 1.684017e+07 2.308371e+07 1.991901e+07 2.533443e+07 1.808420e+07 2.345555e+07 2.008800e+07 2.082348e+07 1.836623e+07 1.495666e+07 2.038205e+07 2.240915e+07 2.598143e+07 1.765353e+07 2.164766e+07 1.282324e+07 1.775564e+07 1.855577e+07 3.125096e+07 2.761174e+07 1.783110e+07 2.831276e+07 1.621627e+07 2.696884e+07 2.399496e+07 1.738642e+07 2.629087e+07 1.405383e+07 1.123857e+07 1.381693e+07 1.831386e+07 1.662577e+07 1.939137e+07 3.057681e+07 1.799399e+07 1.651330e+07 2.056186e+07 1.953118e+07 5.036993e+06 1.303656e+07 2.229925e+07 2.086832e+07 2.335744e+07 2.693408e+07 2.612551e+07 1.827634e+07 2.340169e+07 1.631923e+07 3.045497e+07 2.734936e+07 1.569060e+07 2.129341e+07 2.644911e+07 1.448057e+07 2.164055e+07 2.820671e+07 2.978641e+07 2.628770e+07 2.747014e+07 1.738489e+07 1.785186e+07 1.886944e+07 2.457845e+07 2.540500e+07 3.853693e+07 4.077523e+07 2.347301e+07 2.108701e+07 2.537320e+07 2.154329e+07 2.350240e+07 2.312919e+07 1.926440e+07 1.925565e+07 2.065597e+07 1.744486e+07 1.661743e+07 2.108410e+07 1.862265e+07 1.837658e+07 1.862812e+07 2.447557e+07 2.149936e+07 2.567393e+07 2.248241e+07 3.025614e+07 2.682637e+07 3.147296e+07 1.546834e+07 1.858381e+07 3.357546e+07 2.164071e+07 2.469410e+07 2.377836e+07 2.013549e+07 3.917235e+07 1.403589e+07 3.363560e+07 2.881811e+07 2.269056e+07 2.672754e+07 4.246128e+07 2.478481e+07 4.863514e+07 3.814218e+07 2.020641e+07 4.255290e+07 3.690652e+07 3.904202e+07 2.446720e+07 2.164521e+07 3.000242e+07 1.872240e+07 2.703940e+07 1.885789e+07 3.135697e+07 2.888273e+07 1.957893e+07 1.953729e+07 2.046415e+07 2.460330e+07 3.382877e+07 2.591018e+07 3.825106e+07 2.923593e+07 2.860845e+07 2.763689e+07 2.724683e+07 2.230174e+07 1.901097e+07 3.241671e+07 3.290441e+07 4.864390e+07 2.451493e+07 3.820549e+07 2.678547e+07 2.385376e+07 2.558745e+07 2.738677e+07 2.550713e+07 2.803443e+07 2.589450e+07 1.960926e+07 2.744112e+07 2.401471e+07 2.610913e+07 2.201232e+07 3.028156e+07 2.506704e+07 2.951792e+07 3.102183e+07 2.455333e+07 2.863571e+07 2.828154e+07 2.762183e+07 2.227535e+07 3.136590e+07 3.082677e+07 9.702450e+06 2.882095e+07 2.116459e+07 3.993425e+07 1.563477e+07 1.912205e+07 1.884446e+07 1.580286e+07 2.273315e+07 2.729374e+07 2.614810e+07 ADIPATE (less likely METHYLGLUTARATE) (may need manual integration) 1.602454e+05 7.524314e+07 4.895891e+07 4.194443e+07 1.233561e+05 7.442807e+07 4.698347e+07 8.859830e+07 168282.99 3.296544e+07 6.598770e+07 6.859546e+07 140629.76 6.790292e+07 5.058026e+07 7.622118e+07 1.202241e+05 4.662194e+07 4.773916e+07 4.460627e+07 3.176408e+05 6.778253e+07 7.381936e+07 5.161791e+07 128940.539 6.966228e+07 4.308339e+07 6.860194e+07 9.733007e+04 5.145507e+07 8.381137e+07 6.875167e+07 115083.15 4.767967e+07 4.634529e+07 7.312382e+07 1.730527e+05 5.468278e+07 3.720770e+07 6.503911e+07 1.351994e+05 5.124715e+07 8.493865e+07 8.101804e+07 1.774415e+05 3.196383e+07 7.066951e+07 4.862950e+07 3.213829e+07 3.530539e+07 3.024824e+07 9.481305e+07 6.883949e+07 5.314061e+07 7.212579e+07 6.991902e+07 7.817345e+07 9.151627e+07 4.428482e+07 6.721646e+07 4.580828e+07 7.082547e+07 5.760582e+07 5.696819e+07 1.031909e+08 6.190535e+07 1.105652e+08 6.535012e+07 7.281574e+07 4.240663e+07 9.438137e+07 9.945381e+07 6.800299e+07 5.617246e+07 3.527507e+07 3.704118e+07 4.135450e+07 8.070410e+07 3.574426e+05 9.859462e+07 9.026747e+07 8.060591e+07 5.570990e+07 9.318774e+07 8.446109e+07 3.783955e+07 4.772933e+07 2.141343e+07 9.534037e+07 7.314585e+07 9.243117e+07 6.226835e+07 4.219465e+07 5.087790e+07 3.341003e+07 4.631852e+07 9.182123e+07 4.489751e+07 7.372318e+07 6.086704e+07 6.010099e+07 3.919030e+07 2.925867e+07 8.314689e+07 6.160389e+07 6.233718e+07 4.615205e+07 3.226628e+07 4.373337e+07 4.456644e+07 4.816838e+07 9.493915e+07 7.305951e+07 5.364158e+07 7.610770e+07 3.345672e+07 8.434387e+07 8.140701e+07 4.159798e+07 8.784072e+07 4.760500e+07 2.642196e+07 2.795013e+07 4.008405e+07 4.602022e+07 5.063333e+07 8.907725e+07 3.113028e+07 2.848786e+07 7.732867e+07 3.297721e+07 1.795791e+05 7.694262e+07 5.451592e+07 7.388141e+07 8.319625e+07 6.974601e+07 1.053797e+08 6.525203e+07 9.255440e+07 5.365353e+07 4.980965e+07 1.155848e+08 2.986310e+07 6.193540e+07 7.880189e+07 5.178622e+07 5.560730e+07 8.048834e+07 8.941084e+07 6.726444e+07 9.163572e+07 6.334638e+07 3.232394e+07 6.306471e+07 6.992501e+07 4.821177e+07 1.305227e+08 1.473372e+08 6.117594e+07 4.953888e+07 8.736167e+07 8.715116e+07 5.049257e+07 8.044807e+07 4.909091e+07 5.668712e+07 4.831205e+07 5.171409e+07 6.520484e+07 5.831532e+07 8.131928e+07 4.244315e+07 5.656105e+07 7.794485e+07 5.833211e+07 6.098162e+07 4.300176e+07 1.144513e+08 8.443579e+07 6.116801e+07 4.885522e+07 3.811301e+07 5.852179e+07 4.166849e+07 5.594163e+07 6.997675e+07 4.973750e+07 6.214973e+07 4.234749e+07 1.010865e+08 8.606950e+07 5.712445e+07 8.209210e+07 5.958977e+07 5.849444e+07 8.875950e+07 9.842317e+07 3.605951e+07 1.457522e+08 5.791198e+07 7.100901e+07 8.180522e+07 5.933907e+07 9.289146e+07 1.718785e+07 4.528849e+07 6.426737e+07 1.010265e+08 1.046986e+08 6.299145e+07 3.836173e+07 5.388752e+07 1.708468e+07 7.831205e+07 5.146907e+07 9.804121e+07 1.017060e+08 8.967328e+07 9.341423e+07 7.403273e+07 5.890498e+07 6.057655e+07 8.300193e+07 6.223306e+07 1.190314e+08 6.729740e+07 9.816635e+07 5.004299e+07 1.790771e+07 4.711572e+07 3.914345e+07 4.409243e+07 8.889974e+07 7.263167e+07 4.133966e+07 5.215735e+07 4.014976e+07 4.170484e+07 6.874545e+07 1.195617e+08 4.777137e+07 1.170969e+08 1.392525e+08 4.166290e+07 8.581187e+07 1.080334e+08 6.043445e+07 3.985793e+07 9.764473e+07 1.150730e+08 4.460779e+07 7.950849e+07 6.067563e+07 6.470375e+07 6.269177e+07 6.646565e+07 6.735690e+07 3.082083e+07 3.956618e+07 7.619552e+07 8.677116e+07 carbazeran_1.742 1.881147e+05 5.460760e+07 6.558444e+07 5.952434e+07 1.529895e+05 5.654836e+07 4.602188e+07 6.225367e+07 265176.20 5.164433e+07 6.461013e+07 6.498847e+07 237002.22 6.219320e+07 4.705762e+07 7.038886e+07 2.126936e+05 4.907101e+07 5.751087e+07 5.634505e+07 5.343110e+05 5.419523e+07 5.033887e+07 6.066543e+07 229953.545 6.090131e+07 6.521811e+07 6.180113e+07 1.896822e+05 4.987620e+07 6.170124e+07 6.944925e+07 239672.30 3.589849e+07 6.618837e+07 6.249395e+07 3.304202e+05 4.712659e+07 6.257526e+07 5.759099e+07 2.796385e+05 4.762956e+07 5.963817e+07 7.881872e+07 3.749304e+05 4.648668e+07 6.564378e+07 4.728791e+07 4.972408e+07 4.802684e+07 1.815005e+07 8.427418e+07 4.985946e+07 4.760947e+07 5.406228e+07 5.319323e+07 5.156005e+07 5.609909e+07 5.272033e+07 5.669053e+07 7.203740e+07 4.444818e+07 4.717739e+07 5.484960e+07 7.947595e+07 5.196399e+07 6.125012e+07 4.627772e+07 4.469747e+07 5.120901e+07 1.203437e+08 6.130080e+07 6.260319e+07 9.380014e+07 3.692276e+07 4.577692e+07 3.823808e+07 7.995210e+07 3.448727e+05 7.311887e+07 5.684329e+07 7.490332e+07 3.470023e+07 5.086214e+07 4.164047e+07 5.870917e+07 2.344017e+07 1.800795e+07 4.839207e+07 4.483709e+07 5.399626e+07 6.036160e+07 3.831570e+07 4.128387e+07 5.031948e+07 4.508497e+07 7.376398e+07 3.835407e+07 6.508104e+07 3.732786e+07 4.206971e+07 4.423326e+07 3.082191e+07 4.540273e+07 4.371984e+07 5.697305e+07 2.593533e+07 4.837254e+07 1.484552e+07 4.854787e+07 3.807936e+07 6.585987e+07 5.676795e+07 5.687796e+07 1.023449e+08 3.302182e+07 7.375866e+07 6.138643e+07 3.203222e+07 4.337849e+07 2.977286e+07 1.486040e+07 2.372645e+07 3.177180e+07 2.896868e+07 3.520904e+07 7.064834e+07 3.449132e+07 2.494059e+07 5.091419e+07 3.905575e+07 2.951698e+05 4.730359e+07 4.493579e+07 5.377506e+07 5.451252e+07 4.958606e+07 6.177369e+07 3.859234e+07 4.818252e+07 2.336221e+07 5.380087e+07 6.642031e+07 3.274272e+07 5.620063e+07 6.468877e+07 3.793361e+07 4.735897e+07 3.911298e+07 7.024110e+07 5.626578e+07 6.112101e+07 3.615320e+07 4.711397e+07 4.504083e+07 5.479821e+07 5.340820e+07 8.543067e+07 8.829122e+07 5.022535e+07 4.798562e+07 5.734399e+07 5.185457e+07 5.638003e+07 4.794238e+07 3.761071e+07 4.348482e+07 4.564050e+07 3.909708e+07 3.250182e+07 5.193460e+07 4.302167e+07 3.447900e+07 3.498263e+07 5.581754e+07 5.787095e+07 3.805722e+07 6.047744e+07 6.172727e+07 6.155681e+07 1.827465e+08 2.740975e+07 5.286413e+07 1.471652e+08 6.660375e+07 4.981583e+07 5.060621e+07 4.420078e+07 1.724514e+08 2.487547e+07 1.452394e+08 7.749282e+07 4.496558e+07 7.714478e+07 7.845666e+07 5.064644e+07 1.850142e+08 1.558509e+08 3.887432e+07 1.766502e+08 1.549814e+08 1.631298e+08 5.343590e+07 4.438831e+07 7.515719e+07 5.856495e+07 5.470429e+07 3.295836e+07 6.383625e+07 7.480021e+07 5.132642e+07 3.974922e+07 4.649951e+07 5.984739e+07 7.707310e+07 7.866317e+07 1.541922e+08 5.542688e+07 1.268768e+08 5.980050e+07 6.197306e+07 4.100540e+07 4.478296e+07 7.313597e+07 9.481480e+07 1.173023e+08 4.771420e+07 8.768243e+07 7.447375e+07 6.046063e+07 6.835654e+07 5.455434e+07 7.342028e+07 7.707856e+07 4.846560e+07 6.091130e+07 7.521155e+07 5.660554e+07 5.158777e+07 5.239143e+07 6.999371e+07 7.214259e+07 8.614931e+07 7.552970e+07 7.867499e+07 9.621430e+07 8.793465e+07 8.198269e+07 5.779892e+07 8.237617e+07 1.002777e+08 4.107284e+07 1.034121e+08 4.046768e+07 1.507775e+08 4.789092e+07 4.833863e+07 3.852097e+07 2.283646e+07 5.075516e+07 7.648748e+07 7.003354e+07 "(2S)-3-Hydroxy-1,2-propanediyl dibutanoate_1.742" 2.782503e+05 1.671789e+09 1.506606e+09 1.437984e+09 2.176410e+05 1.500377e+09 1.563727e+09 1.906561e+09 324518.01 1.340148e+09 1.550723e+09 1.692870e+09 280187.58 1.638580e+09 1.263083e+09 1.830722e+09 1.896730e+05 1.526907e+09 1.500926e+09 1.478839e+09 5.605772e+05 1.578786e+09 1.417244e+09 1.767322e+09 253322.949 1.472339e+09 1.738538e+09 1.670225e+09 2.215253e+05 1.222897e+09 1.659926e+09 1.867678e+09 258650.94 1.247797e+09 1.655047e+09 1.654962e+09 3.733777e+05 1.321577e+09 1.673985e+09 1.616530e+09 3.382708e+05 1.353705e+09 1.676428e+09 1.964790e+09 4.720203e+05 1.064533e+09 1.853605e+09 1.400927e+09 1.331354e+09 1.277307e+09 9.211312e+08 1.931552e+09 1.363007e+09 1.301489e+09 1.527092e+09 1.347906e+09 1.594866e+09 1.738448e+09 1.749004e+09 1.439453e+09 1.896892e+09 1.583834e+09 1.434129e+09 1.841797e+09 1.816699e+09 1.402218e+09 1.598351e+09 1.564656e+09 1.489648e+09 1.531116e+09 2.127904e+09 2.008912e+09 2.040879e+09 1.896441e+09 1.425869e+09 1.420782e+09 1.313993e+09 1.872161e+09 4.665140e+07 1.975821e+09 1.498343e+09 1.698016e+09 1.244668e+09 1.503718e+09 1.277319e+09 1.845804e+09 9.607376e+08 8.360039e+08 1.455174e+09 1.541661e+09 2.034550e+09 1.339285e+09 1.566835e+09 1.243987e+09 1.899513e+09 1.447856e+09 1.805183e+09 1.267017e+09 1.489482e+09 1.308178e+09 1.375246e+09 1.294902e+09 1.044653e+09 1.386358e+09 1.486444e+09 1.618428e+09 1.289877e+09 1.428636e+09 9.362923e+08 1.216699e+09 1.303742e+09 1.954669e+09 1.742616e+09 1.360826e+09 1.826628e+09 1.248586e+09 1.857949e+09 1.635807e+09 1.152240e+09 1.679299e+09 1.086128e+09 9.210689e+08 1.007586e+09 1.259515e+09 1.359773e+09 1.387131e+09 1.900753e+09 8.299013e+08 1.087938e+09 1.380015e+09 1.278609e+09 5.983268e+06 1.501938e+09 1.479003e+09 1.339765e+09 1.466818e+09 1.745365e+09 1.811449e+09 1.221015e+09 1.558320e+09 1.252355e+09 1.989562e+09 2.192105e+09 1.067993e+09 1.450082e+09 1.675611e+09 1.530361e+09 1.447089e+09 1.577183e+09 2.069718e+09 1.589225e+09 2.034450e+09 1.386873e+09 1.250178e+09 1.297808e+09 1.520195e+09 1.771616e+09 2.230438e+09 2.629003e+09 1.432739e+09 1.435481e+09 1.635518e+09 1.353299e+09 1.484684e+09 1.477279e+09 1.139889e+09 1.320156e+09 1.393142e+09 1.137583e+09 1.242659e+09 1.352986e+09 1.326192e+09 1.270525e+09 1.254694e+09 1.722736e+09 1.374137e+09 1.673327e+09 1.666388e+09 1.807807e+09 1.626117e+09 2.265366e+09 1.539932e+09 1.348067e+09 2.243275e+09 1.492236e+09 1.555206e+09 1.547707e+09 1.505691e+09 2.432578e+09 1.416117e+09 2.340079e+09 1.797179e+09 1.497960e+09 1.879472e+09 2.577865e+09 1.595985e+09 2.963980e+09 2.352627e+09 1.342562e+09 2.769841e+09 2.236712e+09 2.319295e+09 1.605915e+09 1.314590e+09 1.869596e+09 1.225402e+09 1.734374e+09 1.231568e+09 2.056298e+09 1.880580e+09 1.537963e+09 1.272495e+09 1.402995e+09 1.624525e+09 1.999750e+09 1.878614e+09 2.660874e+09 1.892929e+09 2.040169e+09 1.921120e+09 1.697338e+09 1.456307e+09 1.254080e+09 1.994391e+09 2.125905e+09 2.831044e+09 1.778445e+09 2.650929e+09 1.739160e+09 1.576229e+09 1.814319e+09 1.759282e+09 1.758653e+09 1.782280e+09 1.553690e+09 1.502738e+09 1.907379e+09 1.690800e+09 1.610624e+09 1.508567e+09 1.965960e+09 1.788776e+09 1.975233e+09 2.149457e+09 1.496545e+09 2.025696e+09 2.047768e+09 1.920377e+09 1.418461e+09 2.119322e+09 2.056412e+09 1.295015e+09 1.834606e+09 1.514114e+09 2.641793e+09 1.026645e+09 1.300987e+09 1.369229e+09 1.041778e+09 1.634814e+09 1.847327e+09 1.800839e+09 C16 H31 P S_1.742 7.151597e+04 3.902653e+05 3.689245e+05 2.984933e+05 5.459365e+04 3.313176e+05 4.374260e+05 3.467137e+05 74281.36 3.529098e+05 3.514240e+05 5.095852e+05 60910.83 3.294147e+05 2.091662e+05 3.518299e+05 4.439812e+04 4.715119e+05 3.024329e+05 3.980470e+05 1.105520e+05 3.846857e+05 3.703615e+05 3.551194e+05 55398.669 3.056870e+05 4.306730e+05 4.108425e+05 5.423953e+04 3.094011e+05 3.205446e+05 4.742016e+05 68951.71 2.574182e+05 3.076236e+05 4.852662e+05 8.977832e+04 3.027266e+05 3.424416e+05 4.274195e+05 7.764862e+04 3.609597e+05 3.150989e+05 3.943997e+05 1.134807e+05 3.391489e+05 4.277731e+05 3.133234e+05 1.851657e+05 1.054921e+05 1.400373e+05 1.717106e+05 1.478182e+05 1.525492e+05 1.295018e+05 1.989291e+05 1.263733e+05 1.268431e+05 1.738672e+05 1.068822e+05 1.878352e+05 1.852362e+05 1.285204e+05 1.704186e+05 1.865311e+05 1.434520e+05 1.286798e+05 1.741551e+05 1.134749e+05 1.563953e+05 1.746500e+05 1.301506e+05 1.911184e+05 1.578190e+05 1.439670e+05 1.241764e+05 1.195548e+05 1.469296e+05 6.679774e+04 1.763236e+05 1.129366e+05 1.239984e+05 1.206619e+05 1.181297e+05 9.540047e+04 1.530914e+05 1.356673e+05 9.405733e+04 1.140271e+05 1.248027e+05 1.646638e+05 1.150352e+05 1.440252e+05 9.976655e+04 1.998500e+05 1.128784e+05 1.897440e+05 1.311506e+05 1.002310e+05 1.100849e+05 1.017287e+05 1.245667e+05 1.128015e+05 1.444596e+05 1.511694e+05 1.763365e+05 1.505155e+05 1.319588e+05 9.832482e+04 1.285958e+05 1.337895e+05 1.433704e+05 1.508171e+05 1.301060e+05 1.362398e+05 1.156185e+05 1.309297e+05 1.512519e+05 1.236281e+05 1.642011e+05 1.471867e+05 1.114037e+05 1.214805e+05 1.187495e+05 1.365247e+05 1.445691e+05 1.567939e+05 1.694388e+05 9.565072e+04 1.099709e+05 1.170606e+05 8.105006e+04 1.579748e+05 1.487808e+05 9.973164e+04 1.285769e+05 1.623576e+05 1.456233e+05 1.169922e+05 1.216234e+05 1.439567e+05 1.666786e+05 1.342182e+05 1.112596e+05 1.269755e+05 1.577803e+05 1.452641e+05 1.393983e+05 1.350138e+05 1.815589e+05 1.196541e+05 1.702898e+05 1.127328e+05 1.343782e+05 9.688799e+04 1.267716e+05 2.112476e+05 1.707099e+05 1.790425e+05 1.071778e+05 1.701486e+05 1.557719e+05 9.946370e+04 1.615519e+05 1.519801e+05 1.019796e+05 1.424686e+05 1.450127e+05 1.506284e+05 1.424448e+05 1.445514e+05 1.163669e+05 1.375931e+05 1.252945e+05 1.811318e+05 1.073374e+05 1.621757e+05 1.760779e+05 1.288522e+05 1.220206e+05 2.408425e+06 4.564245e+05 6.018109e+05 5.134849e+05 6.288677e+05 1.143915e+06 1.359754e+06 2.836318e+06 8.896567e+05 5.825682e+05 1.843430e+06 6.616350e+06 1.196460e+07 1.985417e+06 1.449182e+06 5.714034e+05 1.599190e+06 9.521910e+05 4.103856e+05 1.049555e+06 2.111997e+06 1.445194e+06 1.948961e+05 4.896766e+05 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1.651411e+05 1.949565e+05 9.155821e+05 1.109037e+06 4.838378e+05 5.932587e+05 7.590018e+05 6.436149e+05 6.401504e+05 4.759075e+05 5.674296e+05 7.875979e+05 5.791512e+05 3.075112e+05 1.191386e+05 5.602742e+05 1.028674e+06 2.040391e+05 2.173082e+05 8.373172e+05 4.088143e+05 2.804327e+05 1.760722e+05 5.348377e+05 8.824498e+05 3.820595e+05 6.751822e+04 5.985217e+05 5.935579e+05 1.455023e+05 6.563646e+05 3.604622e+05 6.430577e+05 C20 H32 O8_1.742 1.109870e+05 1.015605e+06 9.680911e+05 1.308636e+06 8.289791e+04 1.457790e+06 7.814737e+05 1.685398e+06 104793.63 1.091512e+06 1.371301e+06 1.367117e+06 96745.83 1.292842e+06 5.967020e+05 1.697626e+06 8.071850e+04 1.008574e+06 7.537424e+05 1.596699e+06 2.562773e+05 9.765153e+05 1.445574e+06 1.119273e+06 122513.353 1.035304e+06 1.372833e+06 1.478824e+06 1.059812e+05 6.475336e+05 1.900038e+06 1.016229e+06 138133.81 7.808765e+05 1.071899e+06 1.822346e+06 1.734663e+05 8.246738e+05 1.288707e+06 1.139323e+06 1.307232e+05 7.310276e+05 1.382951e+06 2.003904e+06 1.592112e+05 8.282620e+05 1.115001e+06 1.074396e+06 1.504479e+06 9.035093e+05 3.673807e+05 1.409338e+06 5.009055e+05 2.002369e+06 6.644910e+05 1.208156e+06 1.388282e+06 1.800127e+06 2.050560e+06 8.692729e+05 3.157744e+06 2.195763e+06 1.681521e+06 1.320376e+06 8.905601e+05 5.382483e+05 1.521559e+06 1.290135e+06 1.008773e+06 1.243285e+06 9.122225e+05 1.013796e+06 2.413967e+06 1.008015e+06 7.090651e+05 6.711764e+05 8.236044e+05 2.247403e+06 3.095784e+06 1.946455e+06 1.538257e+06 8.215282e+05 7.061906e+05 2.959207e+05 7.508120e+05 6.948762e+05 5.089063e+05 3.065193e+05 8.698466e+05 1.870396e+06 1.159284e+06 5.037916e+05 1.008599e+06 9.963971e+05 9.507691e+05 7.607881e+05 8.165083e+05 1.377840e+06 4.826722e+05 1.459467e+06 1.514564e+06 7.070246e+05 1.221485e+06 1.893003e+06 6.209464e+05 2.323487e+06 8.413320e+05 1.182672e+06 4.486684e+05 7.766227e+05 5.770867e+05 9.835665e+05 2.636484e+06 7.850461e+05 1.003902e+06 7.789479e+05 2.192373e+06 2.052136e+06 7.403237e+05 2.839646e+06 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4.861034e+07 9.025348e+07 5.069077e+07 6.852433e+07 5.088647e+07 6.111869e+07 7.692140e+07 6.027235e+07 9.974424e+07 3.834147e+07 5.676673e+07 8.306104e+07 5.808368e+07 5.680107e+07 4.451982e+07 1.377948e+08 8.626341e+07 6.294479e+07 4.639266e+07 3.707841e+07 5.059131e+07 3.700012e+07 4.997032e+07 6.046796e+07 4.661771e+07 5.987494e+07 3.536908e+07 9.138199e+07 8.161125e+07 5.825822e+07 8.078292e+07 6.524062e+07 3.652336e+07 9.864169e+07 9.320418e+07 4.418901e+07 1.472578e+08 5.179883e+07 6.696761e+07 9.594326e+07 4.024961e+07 9.195134e+07 3.395013e+07 3.940447e+07 5.935322e+07 9.577658e+07 1.087672e+08 6.009146e+07 3.316657e+07 4.683098e+07 5.088375e+07 7.578640e+07 4.533823e+07 1.002848e+08 1.181040e+08 9.507820e+07 8.817205e+07 7.550322e+07 6.005975e+07 5.961296e+07 8.740653e+07 5.710040e+07 1.198317e+08 5.595633e+07 1.051493e+08 5.071689e+07 3.983681e+07 4.336184e+07 3.956155e+07 3.734939e+07 9.091996e+07 6.649785e+07 4.169155e+07 4.837128e+07 2.820555e+07 3.654271e+07 6.521246e+07 1.394403e+08 4.445739e+07 1.090064e+08 1.387703e+08 4.521035e+07 1.109131e+08 9.056634e+07 5.558383e+07 3.909854e+07 9.418113e+07 1.395149e+08 3.838999e+07 7.751135e+07 6.570148e+07 5.669705e+07 7.471193e+07 6.914394e+07 7.502375e+07 2.798702e+07 4.231005e+07 8.557865e+07 8.260212e+07 C11 H27 N4 O6 P_1.742 5.782820e+04 3.255418e+06 3.155570e+06 2.926897e+06 4.538595e+04 2.599922e+06 2.659736e+06 3.850211e+06 67902.20 2.704890e+06 2.945193e+06 3.470103e+06 61358.47 3.439421e+06 2.481130e+06 3.500478e+06 5.468703e+04 2.397650e+06 3.093572e+06 3.197649e+06 1.559998e+05 3.017004e+06 1.817093e+06 3.752877e+06 66300.652 3.016248e+06 3.464704e+06 3.384975e+06 5.366034e+04 2.268823e+06 3.452444e+06 3.858617e+06 64457.02 1.895842e+06 3.286456e+06 3.401654e+06 9.282163e+04 2.422050e+06 3.176628e+06 3.016813e+06 7.951909e+04 2.329205e+06 3.464241e+06 4.358978e+06 1.038911e+05 1.801868e+06 3.830955e+06 2.381078e+06 2.528900e+06 1.921447e+06 1.595846e+06 4.436987e+06 2.020764e+06 1.588509e+06 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4.611985e+06 4.436992e+06 2.454540e+06 2.397132e+06 2.304056e+06 1.498997e+06 4.072635e+06 4.348768e+06 1.054050e+07 4.202740e+06 9.024443e+06 3.266948e+06 2.809188e+06 2.278293e+06 1.976985e+06 4.143422e+06 6.089917e+06 6.197919e+06 2.078203e+06 5.843615e+06 4.052144e+06 2.884435e+06 4.086958e+06 3.354005e+06 3.312473e+06 4.270185e+06 2.747654e+06 1.951975e+06 3.386637e+06 2.878897e+06 2.285309e+06 2.521938e+06 4.671339e+06 3.565517e+06 5.000490e+06 4.938882e+06 4.252685e+06 6.162223e+06 4.821215e+06 4.050805e+06 3.082342e+06 6.305159e+06 5.564075e+06 1.663773e+06 4.740632e+06 1.890947e+06 8.609757e+06 2.620897e+06 2.275806e+06 2.100839e+06 4.106680e+05 2.671744e+06 3.419136e+06 4.412151e+06 C5 H12 O2_1.742 1.731637e+05 4.391988e+06 4.062159e+06 3.935624e+06 1.429783e+05 3.722427e+06 3.133848e+06 3.080009e+06 258658.18 4.222445e+06 3.652857e+06 5.226423e+06 208959.99 3.878085e+06 3.133154e+06 3.817058e+06 1.408943e+05 4.551674e+06 3.448385e+06 3.679600e+06 3.647402e+05 3.619799e+06 4.238811e+06 4.982196e+06 163116.806 3.183114e+06 3.216442e+06 4.340397e+06 1.328896e+05 3.488172e+06 4.835104e+06 3.160458e+06 164578.25 3.484653e+06 4.429048e+06 3.805174e+06 2.229836e+05 3.936503e+06 4.327773e+06 3.078808e+06 2.097701e+05 3.065194e+06 5.002040e+06 4.184869e+06 3.044346e+05 3.210687e+06 3.087525e+06 3.487586e+06 1.757478e+06 4.081986e+06 3.308394e+06 4.026782e+06 4.484333e+06 3.203675e+06 4.078571e+06 2.393816e+06 4.112225e+06 3.463111e+06 4.259737e+06 2.421304e+06 4.017735e+06 4.660455e+06 2.883353e+06 3.693463e+06 3.337001e+06 3.140604e+06 4.044928e+06 3.757794e+06 4.758597e+06 4.155623e+06 3.365254e+06 3.777999e+06 2.887950e+06 3.374985e+06 2.312757e+06 4.068952e+06 3.367796e+06 2.659315e+06 3.743747e+06 3.760900e+06 4.926764e+06 1.700082e+06 3.337444e+06 4.318721e+06 3.396265e+06 3.871512e+06 1.983290e+06 2.746238e+06 3.836303e+06 3.720781e+06 2.496203e+06 2.503250e+06 4.345052e+06 2.165547e+06 2.326305e+06 2.809343e+06 4.836772e+06 3.350550e+06 3.405255e+06 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3.727761e+06 2.686361e+06 3.838918e+06 3.098167e+06 5.289299e+06 2.507061e+06 4.038267e+06 3.253105e+06 2.167282e+06 3.764793e+06 3.504340e+06 4.792506e+06 7.567556e+06 3.318426e+06 4.541035e+06 5.681022e+06 2.240814e+06 3.200021e+06 2.945839e+06 3.402696e+06 7.340119e+06 2.648957e+06 3.839935e+06 7.936165e+06 2.243659e+06 5.264563e+06 3.894851e+06 3.499507e+06 3.997519e+06 3.754593e+06 4.307946e+06 3.806844e+06 3.219150e+06 4.425782e+06 4.563612e+06 3.447719e+06 2.822624e+06 3.224409e+06 5.878923e+06 3.948898e+06 5.212042e+06 2.676754e+06 2.822220e+06 3.059854e+06 4.876010e+06 4.107700e+06 3.517679e+06 5.347513e+06 4.924392e+06 5.135181e+06 4.516973e+06 5.113985e+06 4.042284e+06 4.848267e+06 4.124303e+06 4.476418e+06 3.779372e+06 3.974019e+06 4.287266e+06 3.361325e+06 4.947180e+06 4.500285e+06 5.204131e+06 2.434541e+06 1.634136e+06 4.767108e+06 3.814301e+06 6.470052e+06 4.286235e+06 4.387005e+06 5.366421e+06 1.920928e+06 4.335577e+06 4.544937e+06 3.417938e+06 3.175072e+06 5.728939e+06 1.676574e+06 4.330135e+06 2.482182e+06 2.185770e+06 4.500837e+06 3.465574e+06 4.181333e+06 5.610803e+06 4.573760e+06 C12 H21 N O4_1.742 5.379745e+04 3.960352e+05 4.591903e+05 4.516817e+05 4.286575e+04 6.181200e+05 3.764286e+05 4.591062e+05 73584.51 5.728569e+05 3.864708e+05 5.641962e+05 63525.20 4.833269e+05 2.455864e+05 5.443015e+05 3.250821e+04 5.210324e+05 4.688162e+05 3.830303e+05 1.005054e+05 6.682090e+05 4.103985e+05 3.798506e+05 50373.672 4.562793e+05 4.600772e+05 5.388541e+05 4.335832e+04 4.347238e+05 5.553400e+05 6.052535e+05 62823.34 4.286583e+05 2.315390e+05 2.462612e+05 9.673443e+04 5.505580e+05 6.090097e+05 5.922368e+05 7.649945e+04 3.304318e+05 4.923224e+05 5.792095e+05 1.172855e+05 4.391613e+05 4.439276e+05 4.095372e+05 5.424775e+05 4.282411e+05 9.150828e+05 2.199763e+05 3.811816e+05 3.310212e+05 4.641202e+05 6.149164e+05 2.998214e+05 4.029006e+05 3.358710e+05 2.103043e+05 4.019466e+05 3.295604e+05 4.823028e+05 4.878576e+05 3.969502e+05 6.542954e+05 5.941234e+05 3.914459e+05 3.672952e+05 3.254127e+05 6.670297e+05 6.747391e+05 5.689697e+05 2.525951e+05 1.737153e+05 3.529985e+05 2.753753e+05 4.516630e+05 6.589810e+04 4.677275e+05 2.745834e+05 3.596996e+05 4.862745e+05 4.631755e+05 1.329614e+05 4.558831e+05 2.458467e+05 3.038359e+05 3.891132e+05 2.737152e+05 4.969452e+05 2.847454e+05 3.865225e+05 4.050057e+05 4.099874e+05 4.116633e+05 4.557334e+05 4.028128e+05 5.621559e+05 4.881312e+05 4.729779e+05 5.241238e+05 3.190472e+05 4.344231e+05 3.661243e+05 7.317228e+05 3.298458e+05 1.404615e+06 3.756456e+05 3.544881e+05 5.728824e+05 3.879702e+05 4.305435e+05 5.263511e+05 5.530504e+05 4.598107e+05 5.739287e+05 4.591062e+05 3.522889e+05 7.933725e+05 3.095196e+05 3.487724e+05 4.386325e+05 3.245240e+05 4.027488e+05 4.795356e+05 5.648517e+05 2.079055e+05 3.389457e+05 4.394506e+05 3.764037e+05 1.040174e+05 7.545677e+05 4.832027e+05 3.579529e+05 3.954601e+05 6.707528e+05 3.780045e+05 5.542525e+05 5.103408e+05 2.764481e+05 4.281950e+05 5.886690e+05 1.715224e+05 3.886218e+05 5.494576e+05 5.228426e+05 3.369710e+05 5.466763e+05 1.157910e+06 5.007288e+05 5.621442e+05 2.970787e+05 5.101968e+05 4.636478e+05 5.358404e+05 8.262424e+05 1.026326e+06 1.158394e+06 5.459128e+05 9.341792e+05 7.972597e+05 3.065633e+05 2.697731e+05 3.938019e+05 2.657781e+05 4.730912e+05 3.787354e+05 2.828069e+05 6.284264e+05 4.541576e+05 3.480901e+05 5.105184e+05 3.763433e+05 3.355698e+05 3.969328e+05 5.006735e+05 5.936821e+05 4.982994e+05 4.185549e+05 3.780676e+05 4.304569e+05 3.918780e+05 5.272965e+05 3.776285e+05 5.202036e+05 3.574409e+05 2.693544e+05 3.284941e+05 4.661683e+05 6.866846e+05 3.838804e+05 3.150330e+05 8.740970e+05 4.983716e+05 4.029481e+05 5.432112e+05 6.595328e+05 3.940974e+05 8.225477e+05 5.965406e+05 4.947335e+05 5.563173e+05 6.495524e+05 4.683181e+05 3.632976e+05 4.119680e+05 1.939617e+05 4.883571e+05 1.206107e+06 5.936722e+05 2.170078e+05 4.669243e+05 4.324688e+05 4.879898e+05 4.309538e+05 6.823326e+05 6.540433e+05 6.245007e+05 5.114412e+05 4.239055e+05 4.178136e+05 2.569480e+05 5.964968e+05 4.572706e+05 7.247894e+05 5.137603e+05 4.185355e+05 4.140412e+05 5.500204e+05 3.609597e+05 5.316947e+05 5.354105e+05 4.645287e+05 4.422297e+05 4.937076e+05 7.775019e+05 4.566005e+05 4.614157e+05 6.200326e+05 3.860189e+05 5.183497e+05 4.121359e+05 3.626309e+05 2.412280e+05 5.051621e+05 4.652541e+05 3.241436e+05 2.560094e+05 6.122522e+05 4.528190e+05 4.546375e+05 6.210349e+05 4.780606e+05 5.667343e+05 1.075372e+05 3.515820e+05 5.847805e+05 3.015441e+05 4.052121e+05 5.045270e+05 5.371423e+05 C12 H14 O2_1.742 1.458701e+05 4.240554e+06 3.365435e+06 4.368579e+06 6.020050e+04 4.486521e+06 4.525085e+06 4.025796e+06 86092.02 4.270269e+06 4.927649e+06 3.553487e+06 72970.75 4.823761e+06 3.184784e+06 4.789622e+06 5.293648e+04 4.241254e+06 4.595072e+06 3.752473e+06 1.321221e+05 4.070555e+06 3.794011e+06 5.402375e+06 62992.423 4.342482e+06 5.397143e+06 2.723335e+06 6.122838e+04 1.957555e+06 5.352097e+06 5.335311e+06 66744.40 3.479773e+06 4.665485e+06 4.567548e+06 8.553151e+04 3.637101e+06 4.266739e+06 4.530034e+06 7.299619e+04 3.170723e+06 4.334282e+06 5.313627e+06 9.686667e+04 3.943677e+06 4.501277e+06 3.641815e+06 3.697024e+06 4.518028e+06 1.564137e+06 6.943299e+06 4.571089e+06 2.660331e+06 5.479015e+06 3.987932e+06 4.722074e+06 6.123608e+06 3.726351e+06 3.155044e+06 7.317621e+06 4.015088e+06 5.570290e+06 5.949960e+06 5.653849e+06 3.398929e+06 2.877517e+06 5.144382e+06 4.481816e+06 4.998306e+06 8.561020e+06 3.692495e+06 7.023992e+06 7.608046e+06 4.592043e+06 5.194568e+06 2.902053e+06 5.015200e+06 5.769403e+05 5.381583e+06 4.929474e+06 4.951301e+06 3.068062e+06 2.452459e+06 2.770299e+06 3.471571e+06 1.468876e+06 2.292456e+06 3.382289e+06 4.584119e+06 3.063172e+06 3.948159e+06 5.970919e+06 4.084267e+06 2.248110e+06 4.267987e+06 4.648754e+06 1.702844e+06 4.597756e+06 4.132693e+06 4.710435e+06 3.778193e+06 2.675313e+06 4.293552e+06 4.185761e+06 5.357343e+06 3.456647e+06 5.291394e+06 2.626298e+06 3.513894e+06 2.129934e+06 6.321777e+06 5.157433e+06 3.441760e+06 5.487039e+06 3.064941e+06 2.487051e+06 4.306231e+06 3.131700e+06 4.580502e+06 6.183544e+05 1.731690e+06 2.073820e+06 4.020347e+06 2.755976e+06 3.658152e+06 5.955158e+06 1.588851e+06 3.224300e+06 3.896726e+06 4.464236e+06 1.440852e+05 3.409964e+06 5.079391e+06 3.946077e+06 4.340725e+06 4.764570e+06 5.297034e+06 3.806257e+06 4.496584e+06 2.832302e+06 5.977836e+06 5.507201e+06 3.021895e+06 4.097757e+06 4.477554e+06 2.249785e+06 1.917871e+06 5.134485e+06 5.422232e+06 4.360207e+06 2.261063e+06 2.325707e+06 3.764548e+06 4.101629e+06 5.380341e+06 5.225248e+06 8.121026e+06 8.074876e+06 2.324127e+06 2.207237e+06 4.507298e+06 4.772505e+06 4.591548e+06 5.010796e+06 4.383569e+06 3.470889e+06 4.036901e+06 3.386951e+06 4.217702e+06 5.355119e+06 4.107961e+06 3.612235e+06 4.156322e+06 4.660378e+06 4.880986e+06 5.353345e+06 2.887943e+06 5.826998e+06 5.418018e+06 5.226529e+06 4.832564e+06 3.998935e+06 5.260951e+06 4.574387e+06 5.843191e+06 5.117555e+06 3.330132e+06 1.606362e+06 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2.637508e+06 3.104912e+06 1.210210e+05 2.642877e+06 3.887002e+06 1.885814e+06 163872.43 2.559134e+06 4.080733e+06 2.956426e+06 130718.40 3.361338e+06 1.775264e+06 3.257352e+06 8.478417e+04 2.766220e+06 3.335131e+06 2.352476e+06 2.447173e+05 3.898952e+06 2.747337e+06 3.791483e+06 147569.718 2.094329e+06 2.228147e+06 3.022805e+06 1.143915e+05 2.507608e+06 3.029616e+06 4.120210e+06 113728.88 2.343817e+06 2.811972e+06 3.616717e+06 1.479705e+05 2.655679e+06 2.658039e+06 2.781338e+06 1.332926e+05 2.504288e+06 2.950635e+06 4.179895e+06 1.852092e+05 2.324678e+06 2.040605e+06 3.109582e+06 1.120638e+06 2.214639e+06 2.150828e+06 3.513925e+06 3.193348e+06 3.498161e+06 3.079753e+06 1.566507e+06 2.745292e+06 1.646610e+06 2.401436e+06 2.647102e+06 4.345108e+06 2.787831e+06 1.866409e+06 3.817251e+06 3.586521e+06 2.635000e+06 2.242434e+06 2.390935e+06 3.263285e+06 3.216039e+06 2.835379e+06 3.643362e+06 3.529394e+06 2.548893e+06 2.077580e+06 3.023793e+06 2.156061e+06 2.239476e+06 1.215421e+06 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1.268276e+06 9.020209e+05 3.912418e+06 8.140939e+05 9.319867e+05 9.521704e+05 8.881780e+05 7.803271e+05 4.669361e+05 6.452280e+05 1.258171e+06 2.649651e+06 1.103362e+06 1.395975e+06 9.069934e+05 4.629996e+05 7.473951e+05 1.082307e+06 1.408455e+06 7.832148e+05 7.924176e+05 1.043566e+06 8.699633e+05 1.051738e+06 3.594273e+05 4.536206e+05 9.309907e+05 4.514555e+05 5.670051e+05 4.279955e+05 7.907598e+05 5.795071e+05 4.898501e+05 6.154292e+05 8.582688e+05 1.062842e+06 8.916870e+05 6.816698e+05 1.162675e+06 4.415065e+06 7.814875e+05 3.554310e+05 7.467604e+05 1.032390e+06 3.517067e+05 1.230112e+06 5.260373e+05 9.268097e+05 C5 H10 N O3 P_1.743 9.342465e+04 1.407970e+06 1.399273e+06 1.643283e+06 6.745858e+04 1.648437e+06 1.910019e+06 1.995732e+06 78218.13 1.425506e+06 1.712579e+06 1.633208e+06 63924.30 1.740812e+06 1.654800e+06 1.049421e+06 3.555790e+04 1.798723e+06 1.569761e+06 1.536316e+06 1.061505e+05 2.300557e+06 1.729979e+06 1.490865e+06 52332.700 1.106179e+06 2.162751e+06 1.866059e+06 4.598614e+04 1.260361e+06 1.463044e+06 1.467035e+06 54490.82 2.018851e+06 1.706068e+06 1.756939e+06 6.565362e+04 1.410598e+06 1.369025e+06 1.330853e+06 5.879130e+04 2.254846e+06 1.514338e+06 2.108445e+06 8.960799e+04 1.743894e+06 1.082288e+06 1.716331e+06 2.380433e+06 1.406783e+06 5.519351e+05 1.314561e+06 1.785782e+06 1.709579e+06 1.699933e+06 2.399784e+06 1.296989e+06 1.798640e+06 4.157360e+05 1.461490e+06 9.619662e+05 7.327718e+05 1.802100e+06 1.450667e+06 1.188056e+06 1.674249e+06 1.578528e+06 1.625133e+06 2.666617e+06 1.571151e+06 1.634381e+06 1.331075e+06 1.222891e+06 1.516021e+06 1.383903e+06 1.011279e+06 1.536223e+06 1.887631e+06 6.995081e+04 1.950845e+06 1.726359e+06 1.305971e+06 1.776265e+06 1.877509e+06 1.038831e+06 1.461498e+06 1.374436e+06 3.056088e+06 1.470442e+06 1.910513e+06 1.445888e+06 1.375493e+06 1.572812e+06 1.962973e+06 5.198182e+05 1.325183e+06 1.234428e+06 1.906934e+06 1.697253e+06 1.186218e+06 2.511387e+06 1.329410e+06 1.717094e+06 1.512595e+06 1.430990e+06 1.128304e+06 1.060028e+06 8.458509e+05 1.308808e+06 1.053549e+06 1.018619e+06 2.127332e+06 1.658637e+06 1.380200e+06 1.828172e+06 1.581266e+06 1.879193e+06 1.640658e+06 7.915923e+05 1.798929e+06 1.725962e+06 1.367370e+06 1.091723e+06 1.054586e+06 1.759955e+06 1.746532e+06 1.306677e+06 1.866747e+06 2.168165e+06 3.020753e+06 1.372528e+06 7.973227e+04 1.861900e+06 1.534978e+06 1.499056e+06 1.796713e+06 3.337559e+06 1.665714e+06 1.723760e+06 1.107342e+06 1.737456e+06 1.294663e+06 1.730206e+06 1.998793e+06 1.880480e+06 1.269639e+06 1.016825e+06 9.810096e+05 1.370948e+06 1.345898e+06 2.946632e+06 8.326112e+05 1.668944e+06 1.922740e+06 1.782051e+06 2.031869e+06 1.532903e+06 2.950314e+06 1.612436e+06 2.509676e+06 1.872934e+06 1.218349e+06 1.847589e+06 2.434331e+06 1.473333e+06 1.732924e+06 1.577829e+06 1.254209e+06 1.466206e+06 1.621038e+06 1.790968e+06 8.750683e+05 1.471107e+06 1.856811e+06 2.372829e+06 2.586988e+06 1.461323e+06 1.088794e+06 1.648370e+06 1.140929e+06 1.636512e+06 1.917990e+06 1.671528e+06 1.562881e+06 2.009250e+06 2.184283e+06 2.268829e+06 2.324109e+06 1.116656e+06 1.314267e+06 1.335049e+06 1.345152e+06 2.209238e+06 2.036802e+06 1.224898e+06 2.111172e+06 1.126537e+06 8.935362e+05 1.348907e+06 1.615400e+06 1.117476e+06 1.247203e+06 2.705220e+06 2.390078e+06 1.525079e+06 1.981502e+06 1.581775e+06 2.133235e+06 1.293514e+06 1.795509e+06 1.777794e+06 1.147540e+06 2.364004e+06 1.292449e+06 2.132070e+06 1.492010e+06 9.206510e+05 1.277670e+06 1.614081e+06 2.070943e+06 1.530488e+06 1.273755e+06 1.512618e+06 1.284566e+06 1.300363e+06 1.194372e+06 9.348076e+05 1.552414e+06 1.412819e+06 1.761991e+06 1.287891e+06 1.384062e+06 1.502587e+06 1.618509e+06 1.796658e+06 1.169814e+06 2.538293e+06 1.981661e+06 1.743034e+06 1.932008e+06 1.478199e+06 1.319371e+06 2.160609e+06 2.250417e+06 1.871352e+06 2.309468e+06 1.957853e+06 1.482734e+06 1.384899e+06 1.253307e+06 1.465650e+06 1.301990e+06 2.318645e+06 1.888414e+06 1.510645e+06 1.490666e+06 2.265899e+06 1.688168e+06 2.215324e+06 1.484151e+06 9.263653e+05 2.019574e+06 C24 H36 O2_1.743 8.855134e+06 6.876471e+05 7.799649e+05 9.061789e+05 5.251513e+04 7.008606e+05 6.276290e+05 1.366212e+06 63368.22 4.925307e+05 5.730050e+05 9.789462e+05 51545.53 9.455654e+05 4.436759e+05 8.646379e+05 4.188677e+04 1.026115e+06 8.750015e+05 5.913840e+05 1.304809e+05 6.287079e+05 6.696333e+05 8.577284e+05 56965.819 7.177922e+05 8.735615e+05 1.307218e+06 4.225407e+04 3.711181e+05 7.753071e+05 9.186639e+05 54524.97 7.224311e+05 6.934429e+05 9.383501e+05 8.229313e+04 6.129316e+05 9.655973e+05 6.161813e+05 7.429671e+04 6.528054e+05 7.463069e+05 1.126888e+06 9.740171e+04 7.521528e+05 9.149784e+05 5.691571e+05 1.658158e+05 1.099337e+06 4.299247e+05 3.276616e+05 1.199006e+05 1.116624e+06 6.778041e+05 1.818900e+05 6.096228e+05 4.586855e+05 3.240663e+05 2.447998e+05 5.145675e+05 3.103520e+05 1.552457e+06 2.635649e+05 5.520244e+05 1.497963e+06 1.694986e+06 5.983556e+05 6.254933e+05 3.535097e+06 9.024397e+05 3.139677e+05 5.249356e+05 4.935338e+06 2.659198e+05 2.028588e+05 2.553685e+05 1.756143e+05 1.556175e+06 4.297080e+05 1.253362e+06 1.712017e+06 6.372559e+05 2.926992e+05 2.417021e+05 2.119095e+05 4.311348e+05 8.601789e+05 3.222016e+06 2.087710e+06 2.410660e+05 2.105396e+05 4.241609e+06 1.595449e+05 1.578947e+06 1.477030e+05 1.830797e+05 1.923958e+05 6.155848e+05 2.183655e+05 2.707694e+05 3.788024e+06 3.276698e+06 4.814388e+05 2.438915e+06 1.482465e+05 1.209147e+05 2.409723e+06 2.666608e+05 1.060449e+05 6.035253e+05 1.927317e+05 1.344815e+05 3.190673e+06 3.811231e+05 2.556668e+05 1.513645e+05 1.460313e+05 3.037063e+05 4.234030e+05 2.464071e+05 1.011124e+05 3.858170e+06 5.204707e+05 3.822203e+05 3.270742e+05 4.461433e+06 6.253451e+05 2.633349e+05 1.594630e+05 1.417797e+05 2.279725e+06 4.437639e+05 4.749036e+05 4.897446e+05 1.967527e+05 1.788098e+05 4.794822e+05 1.363684e+06 1.096701e+06 2.471974e+06 5.468157e+05 3.233571e+05 6.731163e+05 1.771120e+05 3.443311e+05 1.598494e+05 4.495978e+05 1.140396e+05 3.314770e+05 2.988407e+05 1.456298e+05 3.306474e+05 7.168608e+05 2.086140e+06 2.061629e+05 3.714560e+05 1.759381e+05 2.281008e+05 1.423903e+06 3.482270e+05 7.924459e+06 4.736609e+06 1.661603e+06 6.046206e+05 3.760910e+05 1.350105e+05 3.273382e+06 1.571939e+06 2.485738e+06 3.542916e+06 1.527980e+06 3.169931e+06 2.653143e+05 8.642123e+05 4.665588e+05 2.716596e+05 4.504738e+06 1.330492e+06 5.418495e+05 2.087020e+05 1.232280e+06 4.008952e+05 1.541410e+05 5.453188e+05 1.833953e+06 1.141239e+05 1.546024e+05 2.096658e+05 1.684262e+05 3.986609e+05 3.454632e+05 7.095522e+06 5.235458e+05 2.151574e+05 2.477442e+06 5.957545e+05 1.688875e+05 3.765645e+05 3.165004e+05 4.013972e+06 6.133377e+05 1.279198e+06 3.600078e+05 1.157984e+06 6.786265e+05 2.524267e+05 3.674852e+07 5.561135e+05 1.586534e+06 5.242409e+05 6.322248e+05 6.836938e+05 9.127611e+05 7.875616e+05 4.292747e+05 2.158996e+05 1.381595e+05 2.538874e+05 1.358695e+06 2.995460e+05 1.202171e+05 1.186658e+05 8.340545e+05 1.801978e+06 6.607620e+05 8.165687e+05 5.587030e+05 5.504557e+06 3.925283e+05 4.998493e+05 3.522613e+05 1.282068e+06 7.781761e+05 1.401058e+05 1.447183e+05 7.279788e+05 2.583366e+05 3.884793e+05 3.924862e+05 2.872961e+06 1.983138e+06 5.391478e+05 3.415011e+06 2.295300e+06 1.964105e+05 2.592948e+06 2.148037e+06 2.436097e+05 1.962896e+05 3.028399e+05 1.919080e+05 4.537213e+06 1.810601e+06 1.772316e+05 4.370918e+05 2.836878e+05 2.829334e+06 4.931908e+06 3.780760e+05 1.402873e+05 5.409808e+05 C21 H24 O P2_1.743 4.707865e+04 1.101089e+06 1.496137e+06 8.373817e+05 3.887094e+04 1.582096e+06 8.582221e+05 1.248439e+06 75893.04 1.580234e+06 1.151557e+06 1.643108e+06 77106.46 4.342580e+05 1.337421e+06 2.348308e+06 6.543172e+04 7.399889e+05 1.038714e+06 1.045071e+06 1.978335e+05 5.715173e+05 1.189149e+06 1.709350e+06 69513.622 6.975608e+05 1.997515e+06 1.638720e+06 5.059518e+04 2.922120e+05 1.279228e+06 1.659236e+06 59037.41 5.465532e+05 1.864701e+06 1.424723e+06 8.348836e+04 4.941465e+05 1.650255e+06 1.169231e+06 7.530436e+04 5.282053e+05 1.446399e+06 2.096297e+06 9.697353e+04 6.366826e+05 1.390519e+06 9.976925e+05 4.979218e+05 3.776074e+05 1.412216e+05 5.452646e+05 7.742088e+05 4.249762e+05 7.435502e+05 4.723312e+05 5.400540e+05 5.842766e+05 3.215405e+05 6.634455e+05 5.202826e+05 4.432978e+05 4.958311e+05 5.596793e+05 1.052497e+06 4.843145e+05 1.904589e+06 7.588436e+05 9.725737e+05 6.566443e+05 1.502549e+06 2.099889e+06 1.323329e+06 8.571413e+05 2.491465e+05 1.565874e+06 8.128110e+05 1.815518e+06 9.177144e+04 1.226090e+06 6.647528e+05 5.001475e+05 2.646918e+05 6.579472e+05 7.882822e+05 5.650354e+05 4.320610e+05 4.344899e+05 9.026056e+05 8.205941e+05 5.216333e+05 1.735908e+06 2.162403e+05 9.865535e+05 6.369199e+05 1.557549e+06 1.206857e+06 3.046789e+05 3.030513e+06 5.179582e+05 5.413293e+05 3.058473e+05 5.832833e+05 6.276602e+05 1.894010e+05 4.790404e+05 3.234812e+05 5.517856e+05 1.032015e+05 4.908191e+05 4.901229e+05 7.497074e+05 8.187142e+05 9.751467e+05 3.707424e+06 1.153237e+06 8.365854e+05 1.125338e+06 4.212179e+05 3.690643e+05 5.154245e+05 3.338842e+05 5.064086e+05 2.486296e+05 2.947442e+05 5.252987e+05 4.819023e+05 3.710078e+05 3.338507e+05 9.046800e+05 5.125309e+05 7.314339e+04 7.487768e+05 6.413374e+05 3.827241e+05 9.285373e+05 1.093153e+06 4.781514e+05 6.526551e+05 7.510094e+05 5.238687e+05 1.188144e+06 3.992569e+05 4.216400e+05 8.449870e+05 1.526841e+06 7.525753e+05 5.503797e+05 3.941663e+05 8.705975e+05 3.794554e+05 5.976872e+05 4.002703e+05 5.163112e+05 7.723308e+05 8.409075e+05 4.127490e+05 3.169803e+05 2.818952e+05 8.387234e+05 5.405894e+05 5.646843e+05 7.140104e+05 5.071673e+05 1.362957e+05 6.388787e+05 7.079053e+05 5.475921e+05 4.731588e+05 7.097931e+05 7.671299e+05 1.525680e+06 3.367883e+05 3.572583e+05 1.259134e+06 7.237339e+05 3.858508e+05 1.123387e+06 4.218406e+05 1.837553e+06 6.405302e+06 5.257520e+05 1.261666e+06 3.005784e+06 1.055010e+06 9.812219e+05 1.982977e+06 9.646574e+05 4.814575e+06 8.961062e+05 4.199971e+06 2.354194e+06 8.827583e+05 1.727719e+06 1.606830e+06 2.310181e+06 4.705012e+06 3.304581e+06 8.822028e+05 7.197860e+06 7.566412e+06 7.770855e+06 4.479989e+05 1.861269e+06 1.283664e+06 1.899392e+06 7.365271e+05 8.676550e+05 1.990757e+06 2.373661e+06 1.418854e+06 8.717701e+05 8.788149e+05 3.903640e+05 2.074475e+06 1.292167e+06 4.735324e+06 1.078239e+06 2.550055e+06 2.002340e+06 2.371001e+06 1.663698e+06 7.305178e+05 1.192092e+06 2.643063e+06 2.162790e+06 8.577968e+05 8.360411e+05 1.306578e+06 2.212001e+06 2.836899e+06 5.735447e+05 2.041939e+06 3.038975e+06 1.521024e+06 2.315253e+06 2.862248e+06 1.812301e+06 2.082900e+06 4.276322e+05 6.539189e+05 1.436072e+06 1.613868e+06 9.440517e+05 1.672383e+06 7.259112e+05 4.633039e+05 4.576016e+05 7.449038e+05 8.910817e+05 1.857121e+06 4.874725e+05 2.953210e+06 1.706236e+06 1.933152e+06 2.167090e+05 8.221633e+05 3.478715e+05 2.100375e+05 7.550020e+05 4.060524e+05 1.609568e+06 "Hexa-2,4-dienedial (1)_1.743" 2.033386e+05 3.489270e+07 3.174043e+07 3.568446e+07 1.590881e+05 3.604884e+07 2.779532e+07 4.482670e+07 236432.52 3.397775e+07 3.763140e+07 3.402250e+07 208059.91 3.338756e+07 2.638786e+07 4.113601e+07 1.412368e+05 3.505925e+07 3.425572e+07 3.465254e+07 3.536971e+05 3.324385e+07 3.390620e+07 4.173034e+07 154860.777 2.977521e+07 3.371810e+07 3.713128e+07 1.233441e+05 2.660197e+07 4.959121e+07 3.515794e+07 201764.05 2.587346e+07 3.391039e+07 3.948368e+07 2.362524e+05 3.012616e+07 3.178894e+07 4.161144e+07 2.176447e+05 3.056441e+07 3.382016e+07 4.386495e+07 3.124009e+05 2.365957e+07 4.699861e+07 2.651583e+07 3.475795e+07 3.385161e+07 6.850574e+06 4.175743e+07 3.689784e+07 2.819705e+07 3.269943e+07 4.898328e+07 3.613267e+07 3.051906e+07 3.604309e+07 3.053375e+07 4.602275e+07 6.013014e+07 3.772631e+07 4.347388e+07 3.139172e+07 4.409255e+07 4.746908e+07 3.750242e+07 2.744482e+07 3.156951e+07 5.299651e+07 3.545456e+07 4.272820e+07 4.608871e+07 2.174600e+07 2.511954e+07 2.962160e+07 3.819341e+07 3.838147e+05 6.210420e+07 3.302840e+07 2.517379e+07 3.105408e+07 3.740348e+07 3.046312e+07 3.068246e+07 1.774292e+07 1.828917e+07 2.903894e+07 3.385387e+07 6.278633e+07 3.470122e+07 3.454262e+07 3.217704e+07 3.611383e+07 3.887868e+07 6.876215e+07 2.930169e+07 3.480477e+07 3.883775e+07 3.420699e+07 3.035527e+07 2.311181e+07 4.471670e+07 3.777818e+07 3.812027e+07 2.668886e+07 3.249158e+07 1.793751e+07 2.604212e+07 2.809132e+07 5.443762e+07 4.096458e+07 4.865498e+07 4.729307e+07 2.649072e+07 4.271376e+07 5.788390e+07 2.065303e+07 3.149549e+07 3.200883e+07 1.659035e+07 2.039197e+07 2.110434e+07 2.930663e+07 2.879266e+07 7.314765e+07 2.660228e+07 2.959679e+07 3.423321e+07 3.020598e+07 2.120033e+05 2.611216e+07 3.107119e+07 2.898466e+07 3.327402e+07 5.075327e+07 6.112316e+07 2.449533e+07 3.713058e+07 2.987583e+07 4.283237e+07 7.779777e+07 3.039687e+07 3.172482e+07 4.730308e+07 3.974704e+07 3.177274e+07 4.306801e+07 7.472189e+07 4.699036e+07 4.114513e+07 2.296324e+07 3.566376e+07 2.929103e+07 3.943090e+07 4.248338e+07 6.766363e+07 6.261838e+07 4.236635e+07 5.174022e+07 5.793971e+07 4.352295e+07 3.117401e+07 4.719634e+07 2.670142e+07 4.009079e+07 3.223909e+07 3.564205e+07 4.040074e+07 3.430058e+07 4.008396e+07 2.274784e+07 2.629190e+07 4.269936e+07 3.649486e+07 3.362052e+07 3.409584e+07 5.796037e+07 3.921610e+07 8.427077e+07 3.150112e+07 2.622901e+07 6.635196e+07 2.863096e+07 3.052889e+07 2.681868e+07 2.769497e+07 7.258155e+07 1.940764e+07 5.847838e+07 4.555233e+07 2.886605e+07 4.253883e+07 7.669600e+07 1.242586e+07 9.173609e+07 6.633437e+07 2.269455e+07 7.873827e+07 7.222137e+07 7.065372e+07 4.600704e+07 9.824946e+06 3.800299e+07 2.819828e+07 3.160055e+07 2.567205e+07 4.114313e+07 4.072164e+07 3.024278e+07 2.363166e+07 2.125361e+07 4.879947e+07 4.575853e+07 3.343146e+07 8.026339e+07 6.318844e+07 4.729656e+07 3.523188e+07 4.062428e+07 2.983604e+07 2.649215e+07 5.198288e+07 4.208391e+07 6.629798e+07 3.355496e+07 6.503466e+07 4.038582e+07 3.524840e+07 3.566070e+07 4.389047e+07 3.403684e+07 3.784328e+07 3.384752e+07 2.490904e+07 4.256098e+07 2.759643e+07 3.401061e+07 3.032417e+07 6.616556e+07 3.883650e+07 4.055374e+07 5.311143e+07 3.934512e+07 7.479034e+07 3.794268e+07 3.369883e+07 3.459336e+07 5.428574e+07 7.212485e+07 2.401451e+07 4.402424e+07 3.273946e+07 6.881459e+07 3.210300e+07 3.029455e+07 3.945593e+07 2.159675e+07 4.460048e+07 5.509446e+07 4.266192e+07 "cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid_1.744" 1.051474e+06 1.132763e+07 8.193829e+06 9.885019e+06 1.134619e+05 1.009093e+07 1.007513e+07 1.298239e+07 155992.13 9.798222e+06 1.106056e+07 9.797808e+06 138688.55 9.982948e+06 9.168931e+06 1.085150e+07 1.068767e+05 1.046982e+07 9.970906e+06 1.035087e+07 2.688684e+05 1.024107e+07 9.714552e+06 1.226366e+07 120761.584 7.897767e+06 1.215590e+07 1.039454e+07 1.015903e+05 9.080413e+06 1.066888e+07 1.229285e+07 149975.65 7.815829e+06 1.140736e+07 1.033021e+07 1.911232e+05 9.092787e+06 1.008540e+07 1.049358e+07 1.727896e+05 9.673658e+06 1.172152e+07 1.429863e+07 2.496063e+05 4.219622e+06 1.384868e+07 8.391517e+06 6.846961e+06 9.396148e+06 1.389060e+06 1.090204e+07 7.301281e+06 7.746961e+06 7.430737e+06 9.059160e+06 9.189763e+06 1.026295e+07 8.189788e+06 9.292320e+06 1.236679e+07 7.814565e+06 1.053775e+07 1.015423e+07 1.073678e+07 1.010128e+07 1.424116e+07 9.675873e+06 1.011995e+07 9.352011e+06 1.311979e+07 1.182409e+07 1.339357e+07 1.301564e+07 7.419398e+06 8.356953e+06 8.815940e+06 9.053035e+06 4.892848e+05 1.062963e+07 9.375569e+06 1.026396e+07 8.868223e+06 1.022703e+07 7.711523e+06 8.393394e+06 4.134251e+06 6.043050e+06 9.732645e+06 9.800315e+06 1.559859e+07 9.871291e+06 1.212149e+07 9.544499e+06 8.410829e+06 1.146840e+07 1.720906e+07 8.019437e+06 1.159417e+07 1.029723e+07 1.082224e+07 1.000039e+07 6.334116e+06 1.179177e+07 1.325259e+07 1.305811e+07 1.025985e+07 1.060392e+07 6.513050e+06 8.003289e+06 9.226015e+06 1.749574e+07 1.355275e+07 9.013685e+06 1.298296e+07 8.835780e+06 1.345054e+07 1.171109e+07 7.838542e+06 1.272380e+07 6.675247e+06 6.280165e+06 6.361793e+06 7.714368e+06 9.059072e+06 8.417927e+06 1.423380e+07 5.221346e+06 8.368540e+06 1.026399e+07 9.572242e+06 3.094293e+05 1.167246e+07 1.091110e+07 1.032674e+07 1.104664e+07 1.545078e+07 1.362361e+07 9.386812e+06 1.333089e+07 4.757711e+06 1.526150e+07 1.571135e+07 7.153054e+06 9.250703e+06 1.132819e+07 5.383386e+06 1.028881e+07 1.117395e+07 1.561983e+07 1.242598e+07 1.159300e+07 7.507668e+06 1.223100e+07 1.277246e+07 1.443945e+07 1.912852e+07 2.448764e+07 2.851861e+07 1.532289e+07 1.320596e+07 1.820550e+07 9.577872e+06 1.044983e+07 9.962127e+06 8.467026e+06 7.830729e+06 8.602140e+06 7.997705e+06 7.977666e+06 8.757889e+06 8.216418e+06 8.046189e+06 7.539753e+06 1.033756e+07 1.010771e+07 1.080044e+07 6.761571e+06 1.311140e+07 1.031926e+07 1.665615e+07 8.783483e+06 8.103682e+06 1.500751e+07 9.741457e+06 9.544156e+06 9.426944e+06 7.065982e+06 1.719825e+07 5.995490e+06 1.635415e+07 1.181933e+07 7.405409e+06 1.144205e+07 1.369273e+07 8.312191e+06 1.728860e+07 1.842698e+07 8.340439e+06 2.007227e+07 1.751514e+07 1.661409e+07 8.742272e+06 8.702666e+06 1.113473e+07 8.093085e+06 1.208593e+07 7.568720e+06 1.358095e+07 1.309366e+07 8.636182e+06 8.666198e+06 8.734947e+06 1.036667e+07 1.496323e+07 1.049911e+07 1.441429e+07 1.234773e+07 1.215660e+07 1.351532e+07 1.138678e+07 8.649322e+06 7.901827e+06 1.376774e+07 1.337670e+07 1.897174e+07 1.184716e+07 1.257348e+07 1.229854e+07 1.062287e+07 1.165624e+07 1.109737e+07 1.016598e+07 1.055736e+07 1.021087e+07 7.776942e+06 1.110136e+07 1.000903e+07 9.735863e+06 7.936328e+06 1.384712e+07 8.208516e+06 1.006708e+07 1.147586e+07 8.122965e+06 1.043356e+07 1.190527e+07 9.860533e+06 8.916340e+06 1.212752e+07 1.011063e+07 1.397000e+07 1.016626e+07 9.386610e+06 1.680216e+07 6.422750e+06 8.253378e+06 1.496928e+07 6.858259e+06 6.641956e+06 9.685141e+06 9.814612e+06 C20 H37 N O9_1.744 4.621934e+04 3.272419e+06 4.458102e+06 3.779281e+06 3.694926e+04 4.048519e+06 3.725421e+06 5.198603e+06 62610.58 3.686868e+06 3.567782e+06 4.306960e+06 61281.91 3.872432e+06 3.209033e+06 4.594913e+06 5.067512e+04 4.016212e+06 3.698541e+06 4.189347e+06 1.359970e+05 3.829016e+06 3.195158e+06 4.034635e+06 59631.988 4.127299e+06 4.474383e+06 4.369865e+06 4.867602e+04 3.888031e+06 3.243549e+06 5.195818e+06 61962.94 2.645199e+06 4.255215e+06 4.066597e+06 7.686404e+04 3.550148e+06 4.142606e+06 4.113649e+06 7.020441e+04 3.641687e+06 4.039856e+06 5.760059e+06 9.688865e+04 1.992451e+06 4.718636e+06 3.532397e+06 5.240607e+06 3.257360e+06 1.668316e+06 2.432501e+06 2.742946e+06 5.736685e+06 4.484098e+06 2.598053e+06 3.648795e+06 4.883249e+06 4.878573e+06 3.786997e+06 7.070238e+06 2.810364e+06 4.418835e+06 3.869269e+06 3.182742e+06 1.373070e+06 4.771842e+06 4.599078e+06 5.357899e+06 2.818478e+06 3.165336e+06 4.005017e+06 6.552467e+06 2.885914e+06 3.441476e+06 2.703976e+06 4.117122e+06 6.157885e+06 3.446367e+05 5.083817e+06 5.197544e+06 3.979187e+06 1.291594e+06 2.113689e+06 2.493725e+06 3.253395e+06 3.695753e+06 1.332528e+06 3.963084e+06 4.752665e+06 4.189447e+06 2.146155e+06 3.890365e+06 4.123776e+06 3.829773e+06 2.758559e+06 2.918340e+06 5.712695e+06 2.333740e+06 4.628029e+06 5.003821e+06 2.470877e+06 4.901060e+06 4.349684e+06 3.422442e+06 6.943661e+06 2.136094e+06 4.527000e+06 1.731257e+06 3.229339e+06 2.833782e+06 3.183586e+06 3.708055e+06 3.324471e+06 3.595518e+06 4.506676e+06 5.627814e+06 6.085695e+06 2.969061e+06 7.429362e+06 2.490566e+06 1.144071e+06 3.217176e+06 1.237936e+07 3.442114e+06 8.127443e+06 8.295454e+06 7.233430e+06 1.854930e+06 4.383413e+06 5.134981e+06 7.466793e+04 4.060510e+06 3.980541e+06 2.960775e+06 4.557694e+06 4.165221e+06 3.316182e+06 3.763414e+06 2.352460e+06 4.892875e+06 7.861088e+06 3.150729e+06 2.131572e+06 4.284799e+06 5.715777e+06 2.838573e+06 4.536593e+06 1.376386e+07 4.744868e+06 5.213238e+06 5.135342e+06 2.849468e+06 3.055524e+06 2.365560e+06 5.874257e+06 5.098864e+06 4.669155e+06 4.444070e+06 4.410577e+06 6.304751e+06 3.803045e+06 1.668349e+06 6.262573e+06 4.808604e+06 3.040546e+06 3.815303e+06 4.580038e+06 2.178376e+06 3.575597e+06 4.876280e+06 3.532989e+06 5.469087e+06 6.675360e+06 4.473077e+06 2.985156e+06 2.452232e+06 3.880524e+06 5.117942e+06 4.621199e+06 5.433696e+06 1.089706e+07 3.314257e+06 2.159083e+06 4.354100e+06 2.867148e+06 3.753110e+06 2.143285e+06 5.676699e+06 1.260393e+06 3.880359e+06 5.825845e+06 3.926479e+06 4.228972e+06 5.621238e+06 2.966026e+06 1.630656e+07 8.574440e+06 1.639615e+06 4.721043e+06 2.042261e+06 3.842497e+06 3.260357e+06 2.209328e+06 3.504350e+06 1.274171e+06 1.352699e+06 1.306261e+06 4.580011e+06 3.402275e+06 2.904590e+06 2.546558e+06 2.440511e+06 3.030185e+06 3.921497e+06 2.523118e+06 6.781563e+06 1.638917e+06 8.354424e+05 2.875017e+06 2.954579e+06 2.464781e+06 4.650506e+05 2.279838e+06 3.116857e+06 6.500523e+06 1.999166e+06 2.248678e+07 1.054772e+06 2.993325e+06 4.304604e+05 6.966401e+06 6.345168e+06 2.382077e+06 2.531461e+06 1.801836e+06 3.351825e+06 4.701170e+06 2.177193e+06 3.932815e+06 3.879903e+06 4.945923e+06 4.999169e+06 2.133231e+06 2.300260e+06 1.314184e+06 3.200750e+06 2.190472e+06 3.458751e+06 2.275356e+06 3.481480e+06 1.931824e+06 3.841330e+06 2.571788e+06 5.577441e+06 5.429622e+05 1.946955e+06 2.533528e+06 1.058960e+07 1.365682e+07 2.336803e+06 2.806487e+06 C15 H35 N7 P2 S_1.744 7.759396e+04 2.982191e+06 4.005030e+06 3.585361e+06 4.102720e+04 3.400477e+06 3.193541e+06 4.805987e+06 62865.22 3.189303e+06 4.112098e+06 3.530941e+06 61499.52 3.629985e+06 2.136280e+06 3.960582e+06 5.276808e+04 4.094173e+06 4.162763e+06 3.997380e+06 1.481002e+05 2.206687e+06 3.235457e+06 4.098282e+06 64451.166 3.197793e+06 3.843646e+06 4.171592e+06 4.933523e+04 3.329228e+06 3.859106e+06 4.739556e+06 72308.52 1.589707e+06 4.448444e+06 3.213898e+06 8.557597e+04 2.889995e+06 3.967791e+06 3.461504e+06 6.831017e+04 3.304617e+06 3.997206e+06 5.077069e+06 9.675716e+04 2.177141e+06 4.913613e+06 2.221362e+06 4.118744e+06 1.706207e+06 2.596750e+06 2.155027e+06 3.579423e+06 4.683467e+06 3.715549e+06 2.259339e+06 4.045034e+06 4.495712e+06 2.199624e+06 2.635874e+06 6.895524e+06 5.167990e+06 3.982821e+06 3.157407e+06 2.249777e+06 1.728175e+06 4.866513e+06 4.293826e+06 5.473088e+06 4.056488e+06 1.008620e+06 4.289202e+06 7.187865e+06 2.904582e+06 3.338891e+06 7.962342e+05 3.716275e+06 5.889034e+06 1.400400e+05 4.517021e+06 3.740491e+06 3.246328e+06 5.966713e+05 1.301324e+06 2.624062e+06 2.056484e+06 3.357891e+06 9.334881e+05 3.592032e+06 5.002061e+06 2.832458e+06 1.247747e+06 3.687022e+06 3.766868e+06 1.804364e+06 2.342909e+06 2.522284e+06 4.552124e+06 1.779841e+06 4.473185e+06 3.144250e+06 3.061262e+06 4.691737e+06 4.866711e+06 1.830210e+06 5.638552e+06 2.903149e+06 1.981252e+06 4.317647e+05 2.570892e+06 2.644845e+06 4.272807e+06 6.362828e+06 2.456160e+06 1.349627e+06 3.567299e+06 4.625610e+06 5.906740e+06 2.700201e+06 5.903792e+06 2.494860e+06 8.447192e+05 2.552896e+06 1.029191e+07 4.037280e+06 5.645676e+06 5.706552e+06 3.833729e+06 4.766854e+06 3.593423e+06 4.109882e+06 7.712732e+04 3.874918e+06 2.269273e+06 2.043277e+06 4.133858e+06 4.808929e+06 6.819945e+06 3.210484e+06 3.651318e+06 1.722630e+06 7.654764e+06 3.717503e+06 1.013638e+06 2.159925e+06 4.985618e+06 2.593092e+06 3.862966e+06 1.099120e+07 4.511263e+06 4.211584e+06 4.006591e+06 1.870599e+06 3.215193e+06 3.083197e+06 5.485409e+06 5.004409e+06 3.770510e+06 4.005196e+06 4.582684e+06 4.602424e+06 3.495437e+06 3.148776e+06 5.270677e+06 3.574651e+06 7.892915e+05 2.939143e+06 1.187183e+06 1.237208e+06 2.014329e+06 4.115523e+06 3.806976e+06 4.238091e+06 5.628363e+06 5.259897e+06 2.556505e+06 1.754590e+06 2.690524e+06 4.178137e+06 3.966537e+06 6.265277e+06 1.042333e+07 3.360916e+06 4.705860e+06 5.253082e+06 3.750984e+06 3.277393e+06 2.266798e+06 1.914796e+06 1.044175e+06 2.751373e+06 5.707644e+06 3.486911e+06 3.660733e+06 6.390222e+06 3.355533e+06 1.630069e+07 7.396498e+06 3.177645e+06 5.590756e+06 2.449841e+06 6.898083e+06 2.261448e+06 2.154455e+06 3.093802e+06 4.759301e+05 3.028619e+06 1.347328e+06 5.275643e+06 3.580683e+06 2.593637e+06 3.110869e+06 2.639994e+06 2.727189e+06 3.931126e+06 2.327480e+06 7.618565e+06 1.614855e+06 5.049790e+05 4.291169e+06 3.235081e+06 2.891618e+06 4.790642e+05 2.539406e+06 4.766232e+06 6.187231e+06 2.374545e+06 2.015195e+07 9.574223e+05 2.995703e+06 5.049952e+05 6.921487e+06 6.170897e+06 2.638895e+06 1.907468e+06 2.920999e+06 1.279082e+06 4.648317e+06 2.300431e+06 2.818478e+06 3.210175e+06 3.965481e+06 4.446979e+06 3.314267e+06 9.686783e+05 8.443025e+05 7.731654e+05 1.371947e+06 1.070945e+06 1.901055e+06 2.053143e+06 1.088444e+06 1.524438e+06 2.261828e+06 4.926376e+06 1.516325e+05 1.252662e+06 1.882220e+06 9.789112e+06 1.344565e+07 2.875190e+06 3.217360e+06 C5 H14 N8 O2 S_1.744 9.026888e+04 1.776159e+06 1.652107e+06 1.819906e+06 6.783460e+04 1.586929e+06 1.322971e+06 2.137404e+06 82892.00 1.450667e+06 1.673726e+06 2.006057e+06 63040.00 1.657904e+06 1.410229e+06 2.509349e+06 4.779574e+04 1.520321e+06 1.216528e+06 1.560787e+06 1.318375e+05 1.654084e+06 1.462984e+06 2.274310e+06 57386.634 1.402563e+06 1.904492e+06 2.463680e+06 4.946748e+04 8.966260e+05 1.336886e+06 2.398124e+06 72645.69 1.418680e+06 1.512533e+06 1.739229e+06 8.299470e+04 1.427260e+06 1.544624e+06 2.015150e+06 6.773027e+04 2.154099e+06 1.463120e+06 1.676656e+06 1.052791e+05 1.510884e+06 1.768930e+06 1.691920e+06 2.313671e+06 1.364583e+06 1.513423e+06 9.603934e+05 1.607201e+06 1.614031e+06 1.670938e+06 1.807898e+06 1.584825e+06 1.864526e+06 2.240258e+06 9.366237e+05 2.149629e+06 1.851735e+06 1.611395e+06 2.179677e+06 1.891758e+06 1.828787e+06 1.767921e+06 1.943085e+06 2.795394e+06 2.153218e+06 1.671778e+06 2.518473e+06 2.289613e+06 3.053566e+06 1.090143e+06 1.092309e+06 1.450013e+06 2.899914e+06 6.935099e+04 2.619480e+06 1.759022e+06 1.551165e+06 1.423732e+06 1.915892e+06 1.465004e+06 1.712333e+06 9.204238e+05 2.110873e+06 2.331902e+06 2.281978e+06 2.548362e+06 2.067863e+06 1.935709e+06 1.368611e+06 2.584142e+06 1.401480e+06 1.986610e+06 2.363281e+06 1.447511e+06 1.179239e+06 1.479432e+06 1.944780e+06 1.422854e+06 2.000948e+06 1.802677e+06 1.456308e+06 2.264391e+06 2.016704e+06 1.594969e+06 1.151330e+06 1.267610e+06 2.226620e+06 1.818780e+06 1.805207e+06 1.869604e+06 1.967760e+06 1.683858e+06 1.777103e+06 1.009795e+06 2.444516e+06 1.941410e+06 7.545443e+05 1.460185e+06 1.534660e+06 1.427794e+06 1.465165e+06 2.053893e+06 2.185396e+06 1.359719e+06 1.377372e+06 2.055643e+06 7.530743e+04 2.160400e+06 2.306686e+06 1.711284e+06 1.753200e+06 2.066306e+06 1.343924e+06 1.228679e+06 1.648401e+06 1.062275e+06 1.886531e+06 2.247947e+06 1.262862e+06 1.771708e+06 1.329042e+06 2.376350e+06 1.436671e+06 1.480868e+06 1.957629e+06 1.746344e+06 1.604023e+06 1.439505e+06 1.298599e+06 1.702296e+06 1.807616e+06 2.052357e+06 2.692746e+06 2.541574e+06 1.471290e+06 2.202729e+06 1.508791e+06 1.225549e+06 2.143819e+06 1.725614e+06 1.285455e+06 2.272580e+06 2.497587e+06 1.453384e+06 1.446753e+06 1.940437e+06 1.754760e+06 2.072110e+06 2.189887e+06 2.530074e+06 1.765546e+06 1.675281e+06 2.101459e+06 1.833942e+06 2.693951e+06 1.768463e+06 2.374249e+06 1.531075e+06 1.532533e+06 2.393593e+06 1.996968e+06 1.781404e+06 1.562597e+06 1.759070e+06 1.244655e+06 2.022110e+06 1.611487e+06 2.231593e+06 1.851995e+06 1.361820e+06 1.808864e+06 1.786810e+06 1.384432e+06 1.966358e+06 1.729627e+06 1.832272e+06 1.630791e+06 1.914322e+06 1.640394e+06 2.250987e+06 1.629192e+06 1.383581e+06 1.392935e+06 3.163144e+06 2.483031e+06 1.642154e+06 1.450200e+06 1.593807e+06 2.344932e+06 1.982637e+06 1.643202e+06 2.233961e+06 1.836735e+06 1.600695e+06 1.918349e+06 2.220519e+06 1.605623e+06 7.200813e+05 3.310044e+06 2.379936e+06 2.694257e+06 2.073004e+06 2.006851e+06 2.012991e+06 1.455620e+06 2.058479e+06 2.066214e+06 1.984790e+06 2.514033e+06 1.873000e+06 1.432175e+06 2.349835e+06 2.418011e+06 1.806895e+06 1.708390e+06 1.817341e+06 1.897231e+06 1.989971e+06 2.019813e+06 2.061974e+06 2.319248e+06 1.834005e+06 1.565767e+06 1.677321e+06 1.482485e+06 1.708542e+06 1.523391e+06 3.533998e+06 1.964906e+06 1.876195e+06 1.149953e+06 1.927179e+06 1.754613e+06 1.070077e+06 1.428659e+06 1.153966e+06 1.431556e+06 C17 H38 N9 O4 P_1.744 1.819794e+04 6.561083e+05 7.212566e+05 4.383252e+05 1.623217e+04 8.287226e+05 3.739339e+05 6.202170e+05 56192.23 5.074300e+05 6.139942e+05 7.220396e+05 73088.94 5.854707e+05 3.774930e+05 9.368094e+05 5.416349e+04 7.197352e+05 5.336404e+05 6.436928e+05 1.336652e+05 5.744734e+05 6.361438e+05 5.456351e+05 62615.650 6.582041e+05 4.052514e+05 8.207008e+05 4.006798e+04 6.493553e+05 6.305288e+05 7.769994e+05 53673.31 3.820221e+05 5.656194e+05 5.658198e+05 6.600292e+04 7.855572e+05 6.122768e+05 7.081771e+05 6.186765e+04 4.601692e+05 4.458191e+05 8.330908e+05 8.305718e+04 6.137418e+05 6.692278e+05 5.337710e+05 8.427643e+05 1.088281e+06 3.003781e+05 3.754357e+05 6.366952e+05 6.865074e+05 8.363277e+05 6.158924e+05 5.003270e+05 6.686817e+05 1.758480e+06 6.827884e+05 1.625813e+06 1.427682e+06 8.663556e+05 5.400216e+05 4.532407e+05 3.789062e+05 6.980264e+05 5.557532e+05 7.704114e+05 7.308590e+05 3.666780e+05 5.113441e+05 5.337335e+05 2.960854e+05 6.167482e+05 3.030940e+05 7.098729e+05 1.011374e+06 2.406349e+05 5.726235e+05 1.456523e+06 5.738451e+05 2.820345e+05 3.310314e+05 4.676522e+05 3.585365e+05 3.957669e+05 1.163945e+05 6.677626e+05 7.729362e+05 4.152307e+05 3.655303e+05 4.715336e+05 6.345992e+05 5.646894e+05 3.648038e+05 5.465680e+05 1.621185e+06 2.504705e+05 4.979444e+05 1.217986e+06 5.296436e+05 1.515756e+06 6.664737e+05 4.796801e+05 1.842688e+06 3.782948e+05 7.054081e+05 4.120303e+05 3.053110e+05 2.723234e+05 3.173056e+05 7.356619e+05 6.122662e+05 6.580795e+05 7.635769e+05 9.609464e+05 9.334875e+05 4.887474e+05 1.958279e+06 6.220425e+05 1.297084e+05 4.764434e+05 3.733742e+06 1.035278e+06 1.789360e+06 1.430821e+06 7.590076e+05 1.921031e+06 6.905636e+05 6.256603e+05 1.130982e+05 5.766408e+05 4.111330e+05 9.660512e+05 5.493108e+05 5.462101e+05 1.683678e+06 4.187459e+05 4.184469e+05 8.961035e+05 9.497049e+05 6.169088e+05 2.335752e+05 7.263429e+05 5.998234e+05 5.357219e+05 4.438412e+05 4.878175e+06 7.331988e+05 1.683468e+06 2.677736e+05 3.411527e+05 3.898849e+05 4.014355e+05 6.367780e+05 1.904556e+06 6.134748e+05 2.169120e+05 6.080879e+05 8.899890e+05 3.414718e+05 2.629775e+05 8.178203e+05 7.305822e+05 5.686147e+05 4.842921e+05 5.146512e+05 4.456911e+05 5.289136e+05 5.953026e+05 7.797263e+05 1.763198e+06 2.160777e+06 8.209261e+05 1.348173e+05 3.140486e+05 6.400232e+05 8.065415e+05 6.680531e+05 1.109171e+06 2.103536e+06 4.890624e+05 4.447246e+05 4.391575e+05 4.496943e+05 4.484776e+05 4.396886e+05 4.498932e+05 2.895573e+05 4.725269e+05 7.745484e+05 6.852633e+05 4.756180e+05 1.104386e+06 3.478915e+05 1.152438e+06 1.006749e+06 4.699279e+05 2.270436e+05 2.598020e+05 3.419521e+05 9.017341e+05 2.906678e+05 3.922178e+05 2.395891e+05 2.615021e+05 1.197213e+05 5.197384e+05 3.457253e+05 3.582318e+05 3.933558e+05 3.937239e+05 5.410239e+05 2.762766e+05 6.730249e+05 9.452243e+05 2.665228e+05 2.961093e+05 3.275221e+05 3.863616e+05 3.092742e+05 1.466458e+05 1.692832e+05 5.197144e+05 1.086491e+06 2.163309e+05 6.155450e+06 1.586423e+05 2.884403e+05 1.722416e+05 1.376883e+06 8.517315e+05 3.425037e+05 4.009110e+05 3.158406e+05 2.943673e+05 4.168556e+05 1.870348e+05 6.796833e+05 4.776133e+05 1.033322e+06 7.182666e+05 4.247845e+05 4.419824e+05 1.675487e+05 5.942588e+05 3.893364e+05 5.818266e+05 6.377081e+05 7.691775e+05 2.470350e+05 5.510798e+05 3.423170e+05 8.803741e+05 1.141943e+05 2.109304e+05 4.485210e+05 3.996010e+06 3.084806e+06 1.243956e+06 6.564156e+05 C9 H11 N O P2 S_1.744 1.225457e+05 2.005246e+06 2.057107e+06 1.594580e+06 9.085059e+04 2.413993e+06 1.502916e+06 1.546287e+06 107746.96 2.581186e+06 2.997472e+06 2.118849e+06 87880.88 1.473078e+06 1.197082e+06 3.077980e+06 6.195719e+04 1.336760e+06 2.655523e+06 9.596836e+05 1.458929e+05 2.243345e+06 2.397866e+06 1.339952e+06 63697.862 2.793922e+06 1.906373e+06 2.717422e+06 6.248530e+04 1.289498e+06 1.983085e+06 2.835020e+06 94452.96 1.289487e+06 8.933720e+05 2.225447e+06 1.044344e+05 3.236620e+06 1.032402e+06 2.411116e+06 8.843343e+04 2.679826e+06 1.061851e+06 2.787096e+06 1.220237e+05 1.394026e+06 2.187924e+06 2.010712e+06 2.742663e+06 2.882393e+06 9.662686e+05 6.714960e+05 1.266233e+06 1.920603e+06 3.554179e+06 7.545588e+05 3.067987e+06 1.328421e+06 1.363718e+06 1.343717e+06 9.218988e+05 1.354587e+06 2.792455e+06 2.513471e+06 1.222997e+06 2.914219e+06 1.802454e+06 2.732251e+06 1.323700e+06 2.599651e+06 1.282580e+06 1.024568e+06 2.860413e+06 1.376659e+06 3.851009e+06 2.653018e+06 2.556025e+06 2.364709e+06 9.480306e+04 2.990857e+06 1.770317e+06 3.376126e+06 1.732932e+06 3.187766e+06 2.058924e+06 2.665748e+06 1.365546e+06 4.308780e+06 1.834739e+06 2.656651e+06 9.621643e+05 3.501254e+06 1.112884e+06 1.405027e+06 1.658420e+06 1.746934e+06 2.011055e+06 1.161330e+06 3.055325e+06 1.053087e+06 2.230268e+06 8.835373e+05 3.147499e+06 2.808048e+06 9.691728e+05 3.320764e+06 3.456691e+06 2.416529e+06 1.612812e+06 2.297270e+06 3.326102e+06 1.878694e+06 1.441680e+06 2.256974e+06 4.120416e+06 3.639186e+06 2.937286e+06 3.372161e+06 3.898784e+06 2.116014e+06 2.514997e+06 1.420980e+06 2.043533e+06 1.054131e+06 2.720756e+06 2.457113e+06 3.665374e+06 1.627563e+06 2.763832e+06 3.276656e+06 4.199665e+06 9.548842e+04 1.761163e+06 2.185211e+06 2.618068e+06 2.802484e+06 3.307709e+06 2.728768e+06 2.339466e+06 2.508782e+06 1.226196e+06 1.734556e+06 2.274259e+06 2.878124e+06 4.072188e+06 3.334656e+06 1.539730e+06 2.859907e+06 1.407604e+06 1.823933e+06 2.172124e+06 3.090051e+06 2.411842e+06 1.187594e+06 2.689944e+06 3.805566e+06 1.509742e+06 1.671685e+06 1.568898e+06 3.277511e+06 2.771952e+06 8.885789e+05 3.123476e+06 3.802429e+06 2.621040e+06 1.379800e+06 2.557066e+06 2.923489e+06 2.393197e+06 3.109128e+06 1.530511e+06 3.109512e+06 2.473930e+06 2.615835e+06 1.681001e+06 3.893432e+06 9.687008e+05 1.986267e+06 1.960091e+06 3.451575e+06 1.811973e+06 3.546660e+06 1.317571e+06 1.217944e+06 2.734895e+06 2.418356e+06 3.107252e+06 2.825412e+06 1.305809e+06 1.690438e+06 6.956557e+05 2.563052e+06 3.368177e+06 1.110157e+06 7.323290e+05 3.217035e+06 1.154108e+06 6.999488e+05 6.047190e+05 1.288077e+06 2.867808e+06 1.176154e+06 2.966802e+06 3.017238e+06 2.812441e+06 2.789817e+06 2.470752e+06 1.584929e+06 2.336391e+06 3.262521e+06 2.872764e+06 2.364801e+06 2.240344e+06 2.436293e+06 1.158817e+06 2.455179e+06 1.606071e+06 1.229830e+06 3.484317e+06 1.052253e+06 2.989053e+06 3.055976e+06 6.379195e+05 1.324956e+06 2.332718e+06 1.244545e+06 1.722775e+06 1.883972e+06 2.137551e+06 3.306830e+06 2.929646e+06 9.922391e+05 1.524247e+06 2.937214e+06 2.703614e+06 1.155502e+06 2.934210e+06 1.230902e+06 3.717870e+06 3.972411e+06 1.563135e+06 1.482080e+06 2.786519e+06 1.477209e+06 3.500322e+06 3.278467e+06 8.646944e+05 1.750534e+06 1.458714e+06 1.506464e+06 2.803347e+06 3.014370e+06 1.200851e+06 2.263332e+06 1.509607e+06 2.024052e+06 3.477618e+06 1.430692e+06 1.121485e+06 1.144702e+06 8.071143e+05 2.630278e+06 C12 H20 O4_1.744 1.928943e+05 7.488943e+05 2.595827e+05 2.381756e+05 8.246236e+04 3.451038e+05 3.738800e+05 4.918613e+05 179880.53 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7.795905e+06 4.271059e+06 1.308277e+07 3.168694e+06 4.119838e+06 8.493057e+06 2.109481e+06 5.711136e+06 3.146024e+06 4.755252e+06 C5 H15 N9 O2 P2 S_1.745 9.482855e+04 2.171922e+06 2.277125e+06 2.427599e+06 7.048737e+04 5.891701e+06 2.180065e+06 2.413589e+06 89631.32 4.355374e+06 3.907374e+06 5.072820e+06 84410.23 1.778306e+06 2.794520e+06 2.716837e+06 8.406990e+04 2.574501e+06 2.552376e+06 2.608784e+06 1.972990e+05 3.407990e+06 5.636868e+06 1.500355e+06 72866.424 1.767825e+06 4.918570e+06 4.996074e+06 5.621423e+04 1.108364e+06 3.140240e+06 5.199066e+06 78806.37 1.902124e+06 2.276541e+06 2.788368e+06 9.129997e+04 1.633258e+06 5.811760e+06 4.189256e+06 7.430458e+04 1.572190e+06 2.607368e+06 5.531937e+06 1.145751e+05 1.242061e+06 2.911414e+06 3.465578e+06 2.484391e+06 4.924830e+06 1.284017e+06 1.483583e+06 2.308669e+06 2.653927e+06 5.914712e+06 3.646304e+06 3.107351e+06 3.765587e+06 3.789066e+06 2.097926e+06 5.053443e+06 3.202063e+06 4.694810e+06 2.446840e+06 2.331751e+06 2.322156e+06 6.074867e+06 2.795181e+06 8.485454e+06 2.066143e+06 1.831900e+06 3.479017e+06 5.834174e+06 5.817852e+06 4.476807e+06 4.317600e+06 5.028687e+06 3.640018e+06 1.151434e+05 2.794812e+06 4.454502e+06 6.226052e+06 2.740407e+06 3.124417e+06 5.815249e+06 4.906031e+06 1.996244e+06 4.797392e+06 5.083737e+06 2.688210e+06 1.798479e+06 4.082437e+06 1.982694e+06 4.037437e+06 2.553093e+06 3.286147e+06 4.667419e+06 3.472542e+06 5.875321e+06 2.256234e+06 5.365065e+06 1.312997e+06 4.678390e+06 4.558358e+06 2.008601e+06 2.345391e+06 1.547936e+06 1.369884e+06 3.557216e+06 1.419951e+06 6.216007e+06 3.506711e+06 2.607369e+06 1.700116e+06 2.304443e+06 2.032139e+06 2.196812e+06 5.262701e+06 4.333841e+06 4.977208e+06 4.313626e+06 3.257695e+06 4.774004e+06 1.180089e+06 2.709313e+06 3.454693e+06 2.259534e+06 3.257489e+06 2.630847e+06 4.564720e+06 4.973820e+06 1.360828e+05 4.965561e+06 4.381260e+06 2.340040e+06 3.119315e+06 3.030539e+06 2.069438e+06 2.527671e+06 5.937226e+06 1.153162e+06 2.654059e+06 2.226360e+06 1.786269e+06 4.755980e+06 4.548379e+06 2.477242e+06 6.378892e+06 1.709939e+06 2.674474e+06 2.160481e+06 2.091219e+06 5.086904e+06 1.741488e+06 2.363702e+06 4.616141e+06 2.540817e+06 5.849679e+06 1.508537e+06 5.013493e+06 4.583979e+06 5.133578e+06 5.254372e+06 5.319158e+06 2.017802e+06 4.368119e+06 4.187655e+06 4.698905e+06 2.011195e+06 4.369488e+06 3.806794e+06 5.823422e+06 4.495203e+06 2.153722e+06 5.923395e+06 4.113417e+06 2.026870e+06 2.205582e+06 3.018429e+06 2.743956e+06 1.845033e+06 1.874989e+06 2.897869e+06 1.073702e+06 4.987904e+06 4.693459e+06 2.289825e+06 1.636988e+06 1.471649e+06 3.689616e+06 1.100588e+06 1.568515e+06 2.364864e+06 1.996014e+06 1.605813e+06 2.204835e+06 2.256707e+06 2.237968e+06 1.483027e+06 2.700326e+06 1.677118e+06 2.331136e+06 2.834773e+06 4.117049e+06 5.633511e+06 2.366250e+06 2.328798e+06 1.334487e+06 2.240236e+06 5.026085e+06 1.913431e+06 2.160903e+06 2.486481e+06 1.596835e+06 2.635631e+06 2.832022e+06 2.069828e+06 3.469143e+06 2.643053e+06 5.779045e+06 2.509904e+06 4.404609e+06 2.711315e+06 5.377681e+06 2.212076e+06 2.104383e+06 2.211061e+06 3.369554e+06 5.657050e+06 4.724356e+06 5.577314e+06 2.342080e+06 4.548404e+06 3.359986e+06 2.192137e+06 5.509410e+06 2.494598e+06 7.480540e+06 2.409511e+06 2.768488e+06 3.192446e+06 2.437669e+06 3.005872e+06 2.007835e+06 5.386083e+06 3.329477e+06 2.206185e+06 6.719324e+06 6.570522e+06 1.890951e+06 5.357154e+06 3.879345e+06 2.184513e+06 2.740861e+06 1.794038e+06 5.294645e+06 4.773776e+06 4.914505e+06 2.412117e+06 3.432859e+06 1.991991e+06 3.671664e+06 522.17645_1.745 8.614908e+04 1.844185e+06 1.682809e+06 1.933437e+06 6.425376e+04 1.743161e+06 1.630905e+06 2.202369e+06 78587.11 1.689284e+06 1.849510e+06 2.006875e+06 62392.45 1.835968e+06 1.625708e+06 2.576394e+06 4.848135e+04 1.560883e+06 1.429456e+06 1.654656e+06 1.319028e+05 1.831389e+06 1.640651e+06 2.293477e+06 57147.961 1.621245e+06 2.089654e+06 2.484903e+06 4.927346e+04 1.127528e+06 1.456347e+06 2.415456e+06 72223.78 1.611685e+06 1.680027e+06 1.929110e+06 7.681927e+04 1.581782e+06 1.688056e+06 2.099197e+06 6.977640e+04 2.356509e+06 1.520657e+06 1.798165e+06 1.054382e+05 1.605168e+06 1.931162e+06 1.873817e+06 2.285930e+06 1.764247e+06 1.683648e+06 1.058228e+06 1.615024e+06 1.899785e+06 1.879982e+06 1.624794e+06 1.872962e+06 2.069113e+06 2.260942e+06 8.850706e+05 2.166625e+06 2.079422e+06 1.753856e+06 2.230682e+06 2.053137e+06 1.971514e+06 2.028849e+06 1.951481e+06 2.850790e+06 2.170264e+06 1.686986e+06 2.556315e+06 2.522301e+06 3.080796e+06 1.195905e+06 1.295412e+06 1.663445e+06 2.931685e+06 7.004294e+04 2.705321e+06 2.066994e+06 1.727776e+06 1.412121e+06 2.186727e+06 1.706731e+06 1.867191e+06 1.172558e+06 2.140682e+06 2.354241e+06 2.301318e+06 2.568756e+06 2.187520e+06 1.951980e+06 1.541859e+06 2.662178e+06 1.527387e+06 2.268544e+06 2.466568e+06 1.749841e+06 1.322956e+06 1.656187e+06 1.960732e+06 1.763494e+06 2.009555e+06 1.939876e+06 1.820640e+06 2.276501e+06 2.033314e+06 1.608137e+06 1.220474e+06 1.308707e+06 2.245510e+06 1.833664e+06 1.884407e+06 2.480163e+06 1.806000e+06 2.006711e+06 2.102551e+06 1.044487e+06 2.460325e+06 2.025771e+06 1.002227e+06 1.692480e+06 1.547213e+06 1.792401e+06 1.748115e+06 2.129034e+06 2.040592e+06 1.425761e+06 1.504280e+06 2.072103e+06 7.501326e+04 2.266149e+06 2.325544e+06 1.830958e+06 1.982319e+06 2.164543e+06 1.228853e+06 1.362512e+06 1.803711e+06 1.418274e+06 2.134428e+06 2.284834e+06 1.403040e+06 1.799259e+06 1.533316e+06 2.478734e+06 1.448273e+06 1.506151e+06 1.721794e+06 1.879812e+06 1.977430e+06 1.475227e+06 1.219538e+06 2.158317e+06 1.824126e+06 2.061262e+06 2.870632e+06 2.803531e+06 1.394687e+06 2.215111e+06 1.516547e+06 1.464191e+06 2.290113e+06 1.738915e+06 1.524050e+06 2.328879e+06 2.585993e+06 1.755235e+06 1.476666e+06 2.106644e+06 1.970422e+06 2.142572e+06 2.207237e+06 2.534667e+06 1.743487e+06 1.688067e+06 2.167646e+06 1.879783e+06 2.761979e+06 1.834623e+06 2.598327e+06 1.648451e+06 1.681689e+06 2.415382e+06 1.781165e+06 1.967518e+06 1.669226e+06 1.424029e+06 1.479194e+06 2.038615e+06 1.700184e+06 2.211299e+06 2.023600e+06 1.523460e+06 2.007957e+06 2.013442e+06 1.735126e+06 1.982416e+06 1.978048e+06 2.014019e+06 1.839912e+06 2.344713e+06 1.808072e+06 2.458006e+06 1.759101e+06 1.568178e+06 1.547529e+06 3.190244e+06 2.222587e+06 1.907665e+06 1.589992e+06 1.661141e+06 2.364122e+06 1.939162e+06 1.798472e+06 2.341206e+06 1.910841e+06 1.827433e+06 2.166075e+06 2.511489e+06 1.769632e+06 1.012851e+06 3.396235e+06 2.400800e+06 2.939269e+06 2.158030e+06 2.246697e+06 1.973568e+06 1.548377e+06 2.131823e+06 2.124451e+06 2.096336e+06 2.556781e+06 1.889089e+06 1.559591e+06 2.476061e+06 2.428918e+06 1.994542e+06 2.357871e+06 1.832758e+06 2.172683e+06 2.322286e+06 2.053707e+06 2.222720e+06 2.835895e+06 2.103084e+06 1.928429e+06 1.544328e+06 1.582302e+06 2.035737e+06 1.535868e+06 3.432012e+06 2.185688e+06 1.927758e+06 1.391493e+06 2.090436e+06 1.802882e+06 1.183020e+06 1.545850e+06 1.673310e+06 1.671940e+06 "Phellamurin (mzLogic match, not predicted comp)_1.745" 9.998616e+04 2.848340e+07 2.666504e+07 2.783706e+07 7.347015e+04 2.102144e+07 2.890317e+07 2.888858e+07 87222.46 2.798522e+07 3.310411e+07 2.609773e+07 72779.55 2.737236e+07 2.766772e+07 2.887429e+07 5.652009e+04 2.252969e+07 2.473272e+07 2.387960e+07 1.346432e+05 3.616842e+07 2.466190e+07 2.537200e+07 58669.751 2.927323e+07 3.526182e+07 3.730097e+07 5.214911e+04 1.219113e+07 2.453655e+07 2.664867e+07 70090.32 2.895867e+07 2.416016e+07 2.238269e+07 6.282405e+04 3.447451e+07 3.089879e+07 2.194895e+07 5.954455e+04 3.896930e+07 2.013808e+07 2.585396e+07 1.036187e+05 2.785089e+07 3.205441e+07 2.414494e+07 2.128480e+07 2.165493e+07 1.987514e+07 1.344296e+07 2.089505e+07 2.603258e+07 2.589649e+07 1.615758e+07 2.647871e+07 2.676728e+07 1.608092e+07 2.007809e+07 2.615928e+07 2.391685e+07 2.795271e+07 2.862937e+07 2.511412e+07 2.418996e+07 2.728399e+07 2.376319e+07 2.868691e+07 2.443862e+07 3.051898e+07 2.444092e+07 3.582033e+07 3.077620e+07 2.363540e+07 2.231783e+07 2.436804e+07 3.195816e+07 2.381679e+05 2.490170e+07 3.696855e+07 2.869360e+07 1.825733e+07 3.304812e+07 2.137498e+07 2.593285e+07 1.428315e+07 2.520730e+07 2.999105e+07 3.163230e+07 2.466210e+07 2.420788e+07 2.484916e+07 2.719864e+07 3.046279e+07 2.462772e+07 2.904499e+07 2.308628e+07 2.430285e+07 2.355658e+07 2.286624e+07 1.941603e+07 2.936171e+07 2.565519e+07 2.548659e+07 2.917162e+07 2.424850e+07 2.055724e+07 2.264528e+07 2.385470e+07 2.170220e+07 2.812623e+07 3.006625e+07 1.963080e+07 2.721967e+07 3.244821e+07 2.316091e+07 2.866806e+07 1.568802e+07 2.758920e+07 1.869557e+07 1.664346e+07 2.029393e+07 1.487691e+07 2.457599e+07 2.220086e+07 4.021711e+07 2.513613e+07 1.909853e+07 3.172251e+07 2.246784e+07 6.272872e+04 2.361128e+07 2.702412e+07 2.288654e+07 3.157780e+07 2.884208e+07 2.685974e+07 2.350019e+07 2.680392e+07 1.997661e+07 3.484124e+07 2.149471e+07 2.437212e+07 2.897024e+07 2.367289e+07 2.484245e+07 1.983092e+07 2.513025e+07 3.310445e+07 2.035563e+07 3.830541e+07 2.358492e+07 1.906146e+07 2.520409e+07 3.274243e+07 3.148799e+07 2.876241e+07 3.494833e+07 2.884543e+07 3.128988e+07 2.143226e+07 1.751658e+07 2.944312e+07 1.702099e+07 2.036188e+07 2.129708e+07 2.269654e+07 2.229424e+07 2.217258e+07 2.013912e+07 2.933369e+07 2.446981e+07 2.487080e+07 3.578130e+07 2.971734e+07 2.165561e+07 2.433162e+07 2.364102e+07 2.439815e+07 1.886705e+07 3.952539e+07 2.426632e+07 2.379379e+07 2.753147e+07 3.254210e+07 2.783638e+07 2.480172e+07 2.395384e+07 1.465620e+07 2.694965e+07 3.428938e+07 3.239352e+07 2.679222e+07 2.112269e+07 2.355401e+07 2.387200e+07 2.517595e+07 2.156257e+07 2.594228e+07 3.022353e+07 3.124386e+07 3.392781e+07 2.349504e+07 5.132879e+07 3.070491e+07 2.838954e+07 3.150482e+07 3.353077e+07 3.848138e+07 2.815849e+07 2.298973e+07 2.782588e+07 2.300100e+07 3.687685e+07 2.498687e+07 2.704025e+07 1.253554e+07 3.604112e+07 3.692968e+07 3.039809e+07 2.756742e+07 1.796110e+07 2.491442e+07 2.693417e+07 2.899526e+07 2.329267e+07 2.332916e+07 3.002583e+07 2.863219e+07 3.466163e+07 2.340948e+07 3.406993e+07 2.838528e+07 3.355212e+07 2.645775e+07 3.764768e+07 2.246317e+07 2.136370e+07 3.110199e+07 2.913701e+07 3.263368e+07 3.468216e+07 3.110004e+07 3.376022e+07 4.401000e+07 3.301276e+07 2.977807e+07 2.422553e+07 2.587870e+07 3.071558e+07 1.996791e+07 2.744069e+07 2.998367e+07 3.313551e+07 2.385355e+07 3.111492e+07 2.254513e+07 1.984399e+07 2.229365e+07 2.287146e+07 2.828943e+07 SORBATE 1.261172e+05 6.944526e+06 7.112641e+06 6.253058e+06 1.462847e+05 7.194947e+06 4.272957e+06 1.005745e+07 150747.57 7.706578e+06 4.892168e+06 7.869988e+06 139445.76 7.855689e+06 5.849597e+06 8.226877e+06 1.938239e+05 3.371436e+06 7.000957e+06 6.910463e+06 2.630418e+05 7.785743e+06 7.078081e+06 7.802953e+06 113543.985 6.455661e+06 7.362399e+06 8.853145e+06 1.250138e+05 3.187601e+06 8.696327e+06 2.987725e+06 175311.07 6.447139e+06 1.012076e+07 8.008273e+06 2.433581e+05 5.681913e+06 5.139460e+06 8.596383e+06 1.908386e+05 6.871149e+06 5.236966e+06 9.949271e+06 2.341182e+05 4.037140e+06 1.021562e+07 4.345776e+06 6.378832e+06 8.513190e+06 1.657488e+06 1.028963e+07 8.208269e+06 4.237382e+06 5.245319e+06 4.521277e+06 8.435031e+06 8.401327e+06 1.048124e+07 5.087496e+06 1.156768e+07 4.186532e+06 4.671834e+06 6.701726e+06 5.441419e+06 8.067874e+06 9.464975e+06 8.257514e+06 7.050813e+06 8.709814e+06 7.845352e+06 4.782171e+06 1.532247e+07 1.011778e+07 7.366588e+06 4.577529e+06 3.740990e+06 4.958059e+06 3.400798e+05 9.569762e+06 6.374065e+06 9.221593e+06 5.529558e+06 8.431983e+06 5.512864e+06 8.220767e+06 3.625970e+06 4.094375e+06 7.685728e+06 6.954189e+06 3.582012e+06 6.317634e+06 9.614230e+06 4.656660e+06 6.488229e+06 9.226546e+06 1.246834e+07 6.054823e+06 9.530427e+06 7.773189e+06 7.893277e+06 2.040524e+06 4.847487e+06 1.023442e+07 4.944828e+06 1.085634e+07 5.323100e+06 1.148571e+07 2.518013e+06 7.087770e+06 7.840469e+06 1.332310e+07 1.089095e+07 6.772462e+06 9.466181e+06 3.285366e+06 7.993955e+06 7.998806e+06 7.046186e+06 6.111659e+06 5.011876e+06 2.469288e+06 4.225742e+06 4.589402e+06 4.222580e+06 6.047810e+06 9.697087e+06 4.047688e+06 4.890565e+06 6.010618e+06 6.946232e+06 1.699256e+05 4.865310e+06 2.128574e+06 7.829462e+06 8.213741e+06 1.005255e+07 9.089723e+06 5.603853e+06 6.732323e+06 5.033435e+06 1.034021e+07 1.163255e+07 3.247768e+06 7.513110e+06 8.999800e+06 3.992012e+06 7.549557e+06 9.601531e+06 1.207102e+07 8.798791e+06 1.234742e+07 3.801665e+06 8.936765e+06 7.001217e+06 8.989803e+06 1.229763e+07 1.473524e+07 1.550089e+07 1.009871e+07 9.668051e+06 1.419523e+07 6.756577e+06 8.118299e+06 8.270955e+06 3.730396e+06 5.994418e+06 2.657909e+06 5.876329e+06 7.008458e+06 4.224701e+06 5.625063e+06 6.189475e+06 5.590487e+06 5.226588e+06 8.061831e+06 4.079390e+06 1.016238e+07 1.024489e+07 9.986534e+06 1.402617e+07 2.895879e+06 5.452653e+06 1.302413e+07 5.010996e+06 6.752886e+06 3.315607e+06 5.986080e+06 2.123324e+06 2.697538e+06 1.642688e+07 8.002520e+06 6.860606e+06 4.845358e+06 7.199324e+06 6.764693e+06 9.481596e+06 1.495512e+07 2.360153e+06 7.926813e+06 1.356716e+07 1.257490e+07 6.377773e+06 6.556577e+06 7.287780e+06 3.300543e+06 8.816377e+06 4.460506e+06 7.385393e+06 6.828423e+06 5.984557e+06 2.260865e+06 2.523383e+06 7.493435e+06 3.492312e+06 3.730083e+06 1.518145e+07 4.538398e+06 8.172144e+06 7.354916e+06 7.385042e+06 3.642677e+06 5.941168e+06 5.870634e+06 3.633095e+06 8.472412e+06 4.379931e+06 1.082986e+07 7.632311e+06 6.658228e+06 4.101679e+06 7.587153e+06 8.392185e+06 6.864909e+06 3.554692e+06 7.239391e+06 6.552124e+06 7.932437e+06 3.785516e+06 5.930582e+06 7.927124e+06 5.627745e+06 6.843129e+06 4.552512e+06 6.422050e+06 4.070733e+06 4.780893e+06 8.307703e+06 6.078610e+06 5.272282e+06 3.493881e+06 9.557177e+06 6.865735e+06 6.529991e+06 1.205428e+07 4.878451e+06 3.772944e+06 8.892546e+06 6.081059e+06 7.265917e+06 1.905402e+06 8.153142e+06 521.17881_1.745 5.436476e+04 9.878946e+05 1.170579e+06 1.179147e+06 4.043184e+04 1.160887e+06 1.241353e+06 1.285504e+06 50502.17 1.103169e+06 1.109118e+06 1.445585e+06 42135.65 1.231245e+06 1.010520e+06 1.301409e+06 3.591397e+04 1.065732e+06 1.115427e+06 1.109275e+06 1.004632e+05 1.094680e+06 1.214020e+06 1.112737e+06 48112.924 1.006685e+06 1.731404e+06 1.221401e+06 3.746094e+04 1.016007e+06 9.892615e+05 1.193134e+06 56879.55 9.995199e+05 1.329810e+06 1.206480e+06 6.730208e+04 9.714088e+05 1.286545e+06 1.189382e+06 5.969803e+04 1.235653e+06 1.213665e+06 1.390990e+06 9.534247e+04 9.223294e+05 1.180410e+06 1.140962e+06 1.082431e+06 1.059174e+06 6.631922e+05 8.531468e+05 1.043481e+06 1.399645e+06 1.144823e+06 8.814450e+05 1.550757e+06 1.392334e+06 6.974108e+05 8.917361e+05 8.344437e+05 9.762883e+05 1.188353e+06 1.293949e+06 1.607180e+06 1.592251e+06 2.128226e+06 1.054702e+06 1.926579e+06 1.137546e+06 1.471786e+06 2.003091e+06 1.781363e+06 1.350627e+06 8.644141e+05 8.315718e+05 1.515216e+06 1.088029e+06 5.050988e+04 1.559445e+06 1.444894e+06 1.086370e+06 1.039713e+06 1.867879e+06 1.320920e+06 1.709391e+06 9.986535e+05 1.274526e+06 1.608404e+06 1.296232e+06 1.255344e+06 1.358049e+06 8.539655e+05 1.134188e+06 1.535137e+06 9.714369e+05 1.506320e+06 1.538665e+06 1.201186e+06 9.157136e+05 1.149117e+06 6.452606e+05 1.482581e+06 1.307871e+06 1.440959e+06 7.833535e+05 1.045418e+06 8.343224e+05 1.029140e+06 7.974199e+05 1.049967e+06 1.152374e+06 1.120945e+06 1.514210e+06 1.463984e+06 1.262364e+06 1.490739e+06 1.693417e+06 8.068093e+05 1.583230e+06 9.760196e+05 7.392233e+05 1.477970e+06 7.868188e+05 1.404685e+06 1.141955e+06 1.223833e+06 1.882201e+06 9.697492e+05 9.946425e+05 8.251210e+05 6.594885e+04 1.553965e+06 8.153910e+05 1.627354e+06 1.524255e+06 1.882795e+06 1.204634e+06 1.168421e+06 1.077736e+06 1.427811e+06 1.372216e+06 1.205691e+06 1.019880e+06 1.496555e+06 1.189636e+06 1.492188e+06 9.738405e+05 1.174638e+06 1.234296e+06 1.364518e+06 1.424765e+06 9.740655e+05 1.005545e+06 1.128329e+06 1.169948e+06 1.320709e+06 1.724947e+06 1.621764e+06 9.734850e+05 1.478769e+06 1.038053e+06 9.902742e+05 1.688577e+06 8.270238e+05 8.037599e+05 8.570725e+05 1.300152e+06 1.344812e+06 9.975705e+05 1.320340e+06 1.537842e+06 1.253271e+06 1.271257e+06 2.209468e+06 1.056578e+06 9.345269e+05 1.368990e+06 1.242661e+06 1.249097e+06 1.161024e+06 2.134321e+06 1.240443e+06 1.341133e+06 1.122205e+06 1.238476e+06 1.392557e+06 1.595581e+06 9.376743e+05 9.772902e+05 1.234286e+06 1.323619e+06 1.890554e+06 1.527999e+06 9.870877e+05 1.403521e+06 1.622262e+06 7.134181e+05 9.929704e+05 1.381931e+06 1.182349e+06 1.147256e+06 1.510264e+06 1.313816e+06 1.963200e+06 1.146771e+06 9.300036e+05 1.108489e+06 1.261245e+06 1.646433e+06 1.208506e+06 1.050980e+06 1.394794e+06 8.488563e+05 2.826975e+06 1.609013e+06 1.373980e+06 1.195995e+06 1.617616e+06 1.590588e+06 1.315770e+06 1.013028e+06 6.463838e+05 1.565402e+06 1.138597e+06 1.653974e+06 1.368201e+06 1.623263e+06 1.664007e+06 1.076878e+06 1.535734e+06 1.451653e+06 1.482324e+06 1.929996e+06 1.207180e+06 6.120417e+05 1.533955e+06 1.932569e+06 1.255625e+06 1.518328e+06 1.232713e+06 1.424430e+06 1.580199e+06 1.294896e+06 1.737304e+06 2.283926e+06 2.385206e+06 1.509895e+06 1.371040e+06 1.151040e+06 1.181140e+06 7.046968e+05 1.559173e+06 1.250440e+06 1.372332e+06 8.983430e+05 1.460309e+06 1.153085e+06 1.217195e+06 1.047422e+06 8.560216e+05 1.761889e+06 C30 H64 N5 O2 P3_1.745 7.263925e+04 5.330125e+05 6.447586e+05 5.897141e+05 5.634003e+04 6.378509e+05 4.171439e+05 8.590135e+05 80628.59 5.456353e+05 6.004687e+05 6.779220e+05 72446.03 6.032821e+05 5.897385e+05 6.309478e+05 5.934881e+04 4.632816e+05 5.237982e+05 6.214696e+05 1.323389e+05 4.918103e+05 6.973280e+05 7.988858e+05 52015.620 5.135309e+05 6.160169e+05 5.298214e+05 4.676874e+04 6.522972e+05 6.059893e+05 5.538072e+05 71352.20 4.490154e+05 7.560914e+05 5.766315e+05 8.376828e+04 5.996916e+05 6.309853e+05 5.819670e+05 7.929210e+04 7.571961e+05 4.053494e+05 6.960217e+05 1.167429e+05 4.581058e+05 6.930487e+05 1.565532e+05 1.894460e+05 1.288613e+05 1.622947e+05 1.721449e+05 1.325444e+05 1.374898e+05 1.706302e+05 1.785361e+05 1.405881e+05 1.594544e+05 1.603526e+05 1.376810e+05 1.686659e+05 1.869022e+05 1.651150e+05 1.629851e+05 1.842360e+05 1.444415e+05 1.641671e+05 1.562623e+05 1.475601e+05 1.435401e+05 1.873429e+05 1.609743e+05 1.889050e+05 1.682086e+05 1.299707e+05 1.125588e+05 1.545451e+05 1.688300e+05 8.628015e+04 1.728540e+05 1.234570e+05 1.955049e+06 1.150196e+05 1.549313e+05 1.189786e+05 1.608129e+05 1.361074e+05 1.165245e+05 1.254874e+05 1.234031e+05 1.477864e+05 1.261044e+05 1.306854e+05 1.112184e+05 2.096288e+05 1.506406e+05 1.909120e+05 1.363241e+05 1.333506e+05 1.370477e+05 1.320937e+05 1.115500e+05 1.044575e+05 1.297071e+05 1.374549e+05 1.578453e+05 1.350321e+05 2.890797e+06 8.940816e+04 1.152259e+05 1.198168e+05 1.386403e+05 1.372925e+05 1.344989e+05 1.584606e+05 1.225693e+05 1.340826e+05 1.510780e+05 1.112536e+05 1.497043e+05 1.533740e+05 1.169728e+05 1.277434e+05 1.062873e+05 1.436984e+05 1.392015e+05 1.689134e+05 1.545307e+05 1.122583e+05 1.284856e+05 1.069493e+05 7.453131e+04 1.565449e+05 1.330405e+05 1.212722e+05 1.681204e+05 1.553125e+05 1.341840e+05 1.075767e+05 1.223016e+05 1.509278e+05 1.520880e+05 1.679276e+05 1.017895e+05 1.355626e+05 1.414540e+05 1.517162e+05 1.250434e+05 1.529394e+05 1.659930e+05 1.442034e+05 1.522716e+05 1.227321e+05 1.204821e+05 1.449047e+05 1.364666e+05 1.898563e+05 1.844288e+05 1.784990e+05 1.297428e+05 1.527003e+05 1.409539e+05 1.543254e+05 1.568425e+05 1.393496e+05 1.282446e+05 1.367116e+05 1.525942e+05 1.552569e+05 1.353456e+05 1.624004e+05 1.961323e+05 1.353909e+05 1.157229e+05 1.692508e+05 1.221075e+05 1.457348e+05 1.719745e+05 1.731291e+05 1.635815e+05 2.437835e+05 1.645129e+05 1.528240e+05 1.796974e+05 3.340446e+05 1.748169e+05 1.385409e+05 2.687797e+06 2.054724e+05 1.565417e+05 1.689624e+05 1.670553e+06 1.517347e+05 3.547206e+05 2.211620e+05 1.476259e+05 2.822798e+05 1.836043e+05 1.188790e+05 2.414308e+05 2.071808e+05 2.453679e+05 1.840227e+05 1.302479e+05 1.803924e+05 1.478880e+05 1.263278e+05 1.400051e+08 1.776010e+05 1.857273e+05 2.986719e+06 1.181990e+05 1.103329e+05 1.512301e+05 2.271776e+05 1.870234e+05 2.554455e+05 1.608997e+05 2.258811e+05 1.493735e+05 1.628390e+05 1.301617e+05 2.109301e+05 1.345009e+06 4.643985e+05 7.199692e+05 1.067182e+06 3.744761e+06 2.340348e+06 1.480482e+05 8.434118e+06 1.977057e+05 1.867660e+05 1.640644e+05 1.495709e+05 3.059610e+05 1.035483e+06 7.210967e+05 1.423862e+05 1.552193e+05 1.481327e+05 2.513575e+05 1.164827e+06 1.735474e+05 1.691523e+05 1.962225e+05 1.533421e+05 1.562122e+05 1.386664e+05 1.937804e+05 1.538582e+05 1.304105e+05 1.647399e+05 1.321400e+05 2.081942e+05 1.256937e+05 1.320256e+05 1.200387e+05 1.264014e+05 1.632890e+05 1.590920e+05 1.921071e+05 516.1859_1.745 2.003245e+05 4.260684e+07 3.908230e+07 3.787520e+07 1.382560e+05 3.251049e+07 3.750500e+07 4.007663e+07 126893.80 2.863442e+07 2.772562e+07 4.882701e+07 79864.57 4.714271e+07 4.000649e+07 4.535998e+07 5.647249e+04 2.166685e+07 2.358026e+07 3.516497e+07 1.260351e+05 5.834300e+07 3.523123e+07 4.250602e+07 58357.002 1.891538e+07 5.340986e+07 5.327364e+07 4.729684e+04 1.650171e+07 3.238800e+07 3.758022e+07 57709.65 3.817204e+07 3.415718e+07 3.265651e+07 5.336633e+04 5.053087e+07 3.581121e+07 3.979484e+07 5.700671e+04 5.268760e+07 2.342657e+07 2.160257e+07 1.212395e+05 2.975655e+07 6.270604e+07 3.087261e+07 3.769795e+07 3.733199e+07 1.168157e+07 1.372009e+07 2.845674e+07 3.675257e+07 5.201864e+07 2.963582e+07 3.860626e+07 4.154151e+07 2.902741e+07 3.556443e+07 2.184958e+07 1.602774e+07 4.436123e+07 3.770789e+07 3.018704e+07 4.200018e+07 3.804896e+07 3.526395e+07 4.582411e+07 3.705337e+07 4.000363e+07 4.143864e+07 6.148540e+07 4.811708e+07 4.028147e+07 4.415759e+07 3.870507e+07 4.752399e+07 2.588542e+05 3.956631e+07 3.229695e+07 3.805612e+07 3.030602e+07 4.482011e+07 3.517020e+07 5.226611e+07 2.358735e+07 4.067993e+07 5.396562e+07 3.773054e+07 4.616228e+07 5.385597e+07 3.827043e+07 2.669061e+07 3.466247e+07 3.801283e+07 3.960671e+07 3.694406e+07 3.961677e+07 2.322141e+07 4.241869e+07 3.257025e+07 4.491485e+07 3.125737e+07 2.368670e+07 4.460643e+07 3.265088e+07 3.533057e+07 3.346268e+07 1.706730e+07 2.884399e+07 4.093504e+07 3.646173e+07 2.117969e+07 5.722407e+07 4.194978e+07 4.737409e+07 4.163843e+07 1.403786e+07 3.809638e+07 2.945129e+07 1.197252e+07 2.658771e+07 1.392225e+07 4.082675e+07 3.296885e+07 4.319905e+07 3.729238e+07 3.684688e+07 2.188463e+07 4.104740e+07 5.235071e+04 3.082132e+07 4.723027e+07 4.781221e+07 4.599456e+07 5.235745e+07 4.490668e+07 3.507833e+07 3.867261e+07 2.227242e+07 5.180555e+07 4.575705e+07 4.005275e+07 4.478913e+07 3.366456e+07 2.504722e+07 2.504130e+07 2.424890e+07 3.965299e+07 4.039388e+07 5.921594e+07 3.492663e+07 2.045074e+07 4.384121e+07 3.532303e+07 3.729382e+07 7.446209e+07 6.487042e+07 1.968193e+07 3.759209e+07 2.725814e+07 2.709589e+07 6.043579e+07 2.378704e+07 3.599255e+07 2.971001e+07 2.388791e+07 3.205197e+07 2.455917e+07 2.767235e+07 4.439489e+07 3.146713e+07 3.971547e+07 5.605687e+07 2.696373e+07 2.476348e+07 3.357812e+07 4.276494e+07 4.302565e+07 2.603665e+07 4.453138e+07 3.420776e+07 2.703370e+07 4.065341e+07 4.005272e+07 3.082866e+07 2.837899e+07 2.360860e+07 2.609082e+07 3.908588e+07 3.219356e+07 3.943983e+07 3.451895e+07 2.306004e+07 4.790662e+07 4.113494e+07 3.900045e+07 4.008320e+07 4.927730e+07 2.920208e+07 4.389285e+07 3.273621e+07 4.281068e+07 6.025997e+07 4.919713e+07 3.888039e+07 4.211356e+07 5.314159e+07 5.283855e+07 3.892317e+07 2.834575e+07 4.300955e+07 4.574976e+07 8.422200e+07 3.458461e+07 3.856371e+07 2.134901e+07 4.209251e+07 5.618060e+07 3.025205e+07 2.421267e+07 2.500939e+07 4.974219e+07 4.577326e+07 6.590290e+07 2.497806e+07 5.362038e+07 4.737041e+07 3.801901e+07 5.258174e+07 3.297232e+07 4.419938e+07 3.349601e+07 4.359006e+07 3.359274e+07 4.637947e+07 3.332446e+07 5.609783e+07 4.565462e+07 4.145807e+07 3.600823e+07 5.006186e+07 4.867464e+07 5.477391e+07 4.258022e+07 5.859610e+07 2.098639e+07 4.212252e+07 3.535455e+07 2.414158e+07 3.392923e+07 5.380083e+07 3.499748e+07 4.793821e+07 2.063532e+07 3.884357e+07 3.031166e+07 3.170458e+07 3.001628e+07 3.705318e+07 4.270131e+07 "4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carbaldehyde_1.745" 1.057346e+06 6.250510e+06 3.761677e+06 5.856874e+06 1.265618e+05 5.452992e+06 5.333194e+06 6.874744e+06 178218.86 5.212485e+06 5.863476e+06 5.374871e+06 156203.12 5.169915e+06 5.076188e+06 5.679715e+06 1.164568e+05 5.711807e+06 5.013780e+06 6.054228e+06 2.842424e+05 5.511816e+06 4.839666e+06 6.397902e+06 127256.961 4.733268e+06 6.112958e+06 5.731256e+06 1.157993e+05 4.905077e+06 5.909726e+06 6.270831e+06 166919.83 4.275618e+06 6.025654e+06 5.617766e+06 2.161274e+05 4.693820e+06 5.394229e+06 5.880427e+06 1.896706e+05 5.049492e+06 6.260132e+06 7.276522e+06 2.600329e+05 2.673434e+06 7.078712e+06 4.763101e+06 2.896144e+06 4.803123e+06 1.554546e+06 5.808525e+06 3.717721e+06 4.058349e+06 3.238957e+06 4.538655e+06 4.673478e+06 5.197338e+06 3.774955e+06 5.004875e+06 6.367551e+06 3.785477e+06 5.260198e+06 4.735839e+06 6.567419e+06 5.392442e+06 7.088014e+06 6.043245e+06 5.412202e+06 4.953450e+06 6.724185e+06 6.515499e+06 6.561466e+06 6.711762e+06 4.006177e+06 4.539405e+06 4.832882e+06 3.884820e+06 3.755073e+05 6.290005e+06 5.704998e+06 5.515396e+06 4.974909e+06 5.536489e+06 4.015106e+06 3.700540e+06 3.217679e+06 3.421404e+06 5.072396e+06 5.187435e+06 8.410898e+06 5.938213e+06 6.383000e+06 5.227780e+06 4.899982e+06 5.861084e+06 9.450939e+06 4.332836e+06 6.298762e+06 5.560742e+06 5.599992e+06 5.337348e+06 3.117788e+06 6.346173e+06 7.920765e+06 7.207855e+06 5.920891e+06 5.349235e+06 3.354741e+06 4.292489e+06 4.957490e+06 9.307092e+06 7.414794e+06 4.709171e+06 7.177240e+06 4.760634e+06 6.962699e+06 6.859736e+06 4.244251e+06 6.948257e+06 3.894677e+06 3.185815e+06 3.578742e+06 4.210247e+06 5.015042e+06 5.265080e+06 7.651191e+06 2.554479e+06 5.116851e+06 5.643113e+06 5.005080e+06 2.658355e+05 5.786036e+06 6.016153e+06 5.690316e+06 5.619140e+06 8.053545e+06 7.269653e+06 4.836056e+06 6.759633e+06 1.704615e+06 8.179828e+06 8.193011e+06 3.922905e+06 5.310999e+06 6.000731e+06 2.906173e+06 5.424390e+06 5.873372e+06 8.582417e+06 6.353596e+06 6.157130e+06 3.755916e+06 6.592470e+06 6.260124e+06 7.710074e+06 1.057940e+07 1.228705e+07 1.442361e+07 8.079744e+06 7.523455e+06 1.038317e+07 5.024596e+06 5.604034e+06 5.864111e+06 5.223841e+06 4.541026e+06 4.945461e+06 4.396635e+06 4.438701e+06 5.040376e+06 4.631459e+06 4.348793e+06 3.963772e+06 6.417365e+06 5.628556e+06 5.611924e+06 3.997944e+06 6.739891e+06 5.610930e+06 9.019581e+06 4.544797e+06 4.642608e+06 8.387979e+06 4.817326e+06 5.672596e+06 4.805589e+06 2.585883e+06 8.761298e+06 4.090547e+06 9.024895e+06 6.290685e+06 3.858523e+06 6.759079e+06 8.289963e+06 4.873048e+06 1.079731e+07 1.046686e+07 4.449976e+06 1.086288e+07 9.508925e+06 8.375986e+06 5.840032e+06 4.804779e+06 6.400721e+06 3.854288e+06 6.041397e+06 3.745673e+06 7.334476e+06 6.635795e+06 5.073248e+06 4.717022e+06 4.782773e+06 5.305101e+06 7.587760e+06 5.553214e+06 5.759291e+06 6.597399e+06 6.447981e+06 6.969609e+06 7.644352e+06 4.787641e+06 4.135293e+06 7.247828e+06 7.088002e+06 1.009586e+07 6.136277e+06 7.528153e+06 6.574477e+06 5.394694e+06 5.923643e+06 5.510038e+06 6.131585e+06 5.116109e+06 4.869617e+06 3.238141e+06 6.084469e+06 4.563776e+06 5.113928e+06 3.145565e+06 6.907146e+06 4.658500e+06 5.203657e+06 6.055154e+06 4.837519e+06 5.411156e+06 6.705015e+06 5.262877e+06 4.798055e+06 6.904426e+06 5.412228e+06 7.398924e+06 5.840630e+06 5.120847e+06 9.275267e+06 3.329817e+06 4.745405e+06 8.017102e+06 3.806011e+06 3.727799e+06 5.391172e+06 5.391194e+06 71.06133_1.745 8.434988e+05 6.083101e+06 3.585161e+06 5.666623e+06 5.776489e+04 5.293863e+06 5.137714e+06 6.676486e+06 81028.50 5.069079e+06 5.708984e+06 5.218533e+06 71356.95 5.025542e+06 4.844604e+06 5.519637e+06 5.345918e+04 5.448172e+06 4.892126e+06 5.916793e+06 1.297880e+05 5.302089e+06 4.690466e+06 6.213786e+06 57902.825 4.570833e+06 5.927488e+06 5.553902e+06 5.273882e+04 4.731130e+06 5.731684e+06 6.092493e+06 76249.16 4.108381e+06 5.855130e+06 5.421727e+06 9.910980e+04 4.545093e+06 5.223373e+06 5.715435e+06 8.717469e+04 4.879381e+06 6.104304e+06 7.008482e+06 1.195282e+05 2.517145e+06 6.937189e+06 4.593938e+06 2.709752e+06 4.685226e+06 6.235477e+05 5.640694e+06 3.569542e+06 3.903503e+06 2.988030e+06 4.344750e+06 4.515273e+06 5.013882e+06 3.536955e+06 4.882764e+06 6.179648e+06 3.604684e+06 5.126356e+06 4.557950e+06 6.384358e+06 5.266261e+06 6.941152e+06 5.812644e+06 5.284077e+06 4.769709e+06 6.504649e+06 6.322089e+06 6.353634e+06 6.512303e+06 3.844380e+06 4.397912e+06 4.694162e+06 3.651436e+06 2.549887e+05 6.116516e+06 5.552447e+06 5.384412e+06 4.858224e+06 5.418817e+06 3.900991e+06 3.554671e+06 3.088093e+06 3.316490e+06 4.928724e+06 5.030399e+06 8.245911e+06 5.782432e+06 6.175681e+06 5.093734e+06 3.407203e+06 5.742770e+06 9.287307e+06 4.210892e+06 6.197378e+06 5.445750e+06 5.503176e+06 5.203513e+06 2.984751e+06 6.149752e+06 7.780038e+06 7.027863e+06 5.773879e+06 5.207161e+06 3.241752e+06 4.162559e+06 4.821696e+06 9.118929e+06 7.154275e+06 4.493725e+06 6.893071e+06 4.620303e+06 6.784925e+06 6.653544e+06 4.120638e+06 6.708319e+06 3.744176e+06 3.081046e+06 3.299356e+06 4.084666e+06 4.896907e+06 5.121927e+06 7.350158e+06 2.381627e+06 4.853843e+06 5.505847e+06 4.819235e+06 1.833296e+05 5.647167e+06 5.812667e+06 5.542397e+06 5.473542e+06 7.872281e+06 7.070107e+06 4.694782e+06 6.476962e+06 1.490944e+06 7.978693e+06 8.061009e+06 3.791999e+06 5.122650e+06 5.841594e+06 2.758073e+06 5.236124e+06 5.697684e+06 8.410044e+06 6.216810e+06 5.960017e+06 3.614862e+06 6.464250e+06 6.138419e+06 7.538503e+06 1.037991e+07 1.204535e+07 1.418253e+07 7.964907e+06 7.215941e+06 1.024539e+07 4.905243e+06 5.438008e+06 5.714400e+06 4.952839e+06 4.395865e+06 4.817909e+06 4.249979e+06 4.292624e+06 4.853945e+06 4.232112e+06 4.210128e+06 3.815029e+06 6.251226e+06 5.487763e+06 5.450405e+06 3.809689e+06 6.610227e+06 5.481947e+06 8.818240e+06 4.377763e+06 4.521895e+06 8.167009e+06 4.677683e+06 5.478049e+06 4.643063e+06 2.424997e+06 8.509266e+06 3.942628e+06 8.800700e+06 6.112178e+06 3.692098e+06 6.591239e+06 8.074632e+06 4.700161e+06 1.057355e+07 1.018507e+07 4.310506e+06 1.068285e+07 9.281163e+06 8.103155e+06 5.638796e+06 4.660945e+06 6.198480e+06 3.728361e+06 5.878819e+06 3.603526e+06 7.117046e+06 6.429967e+06 4.589442e+06 4.564440e+06 4.637803e+06 4.955576e+06 7.408970e+06 5.321382e+06 5.517876e+06 6.396973e+06 6.265427e+06 6.711377e+06 5.869183e+06 4.642458e+06 4.005500e+06 7.093962e+06 6.884985e+06 9.821593e+06 5.950965e+06 7.364894e+06 6.436031e+06 5.224946e+06 5.743446e+06 5.338178e+06 5.924698e+06 4.962459e+06 4.685983e+06 3.069648e+06 5.896678e+06 4.402536e+06 4.945111e+06 2.922045e+06 6.715946e+06 4.471175e+06 4.999895e+06 5.836787e+06 4.680371e+06 5.218081e+06 6.431203e+06 5.089689e+06 4.655545e+06 6.747509e+06 5.211891e+06 7.247718e+06 5.645640e+06 4.921572e+06 8.959973e+06 3.228274e+06 4.589429e+06 7.915709e+06 3.706720e+06 3.546761e+06 5.162488e+06 5.156547e+06 wine lactone_1.745 6.919274e+04 4.718009e+06 4.004191e+06 4.084854e+06 5.372606e+04 4.197559e+06 4.131060e+06 5.511301e+06 78140.29 3.960529e+06 4.705570e+06 4.307401e+06 69470.74 4.037807e+06 4.237609e+06 4.875291e+06 5.499841e+04 4.421822e+06 4.726914e+06 2.189372e+06 1.447190e+05 4.604353e+06 4.486550e+06 5.949927e+06 60900.936 3.880790e+06 4.134769e+06 4.774052e+06 5.811346e+04 3.813313e+06 5.188163e+06 6.476577e+06 98374.06 2.128116e+06 2.929029e+06 3.226902e+06 1.557779e+05 5.275973e+06 6.389922e+06 2.962283e+06 1.124801e+05 2.624060e+06 5.781747e+06 7.280883e+06 1.384015e+05 1.175506e+06 6.851384e+06 2.497520e+06 4.440115e+06 4.994776e+06 1.704269e+06 1.024237e+07 6.816114e+06 6.126796e+06 5.475312e+06 6.407783e+06 7.118782e+06 7.320682e+06 9.536216e+06 4.793689e+06 7.824108e+06 3.727923e+06 5.771873e+06 5.027339e+06 9.715290e+06 1.970722e+06 4.109127e+06 8.239962e+06 5.891427e+06 5.404243e+06 8.450620e+06 7.516093e+06 1.052335e+07 8.300621e+06 4.060431e+06 2.852196e+06 1.688830e+06 1.847229e+06 2.062763e+06 7.024351e+06 3.912205e+06 5.351708e+06 4.786925e+06 4.366354e+06 3.940140e+06 2.920074e+06 9.658088e+05 2.192866e+06 3.725591e+06 3.984297e+06 5.307998e+06 4.529000e+06 4.339488e+06 2.715492e+06 2.658067e+06 3.596671e+06 2.162269e+06 1.825282e+06 4.641920e+06 3.241025e+06 3.582087e+06 3.867309e+06 1.007191e+06 5.963036e+06 1.884751e+06 3.990229e+06 2.009677e+06 1.262127e+06 2.236987e+06 3.091664e+06 1.756889e+06 4.849756e+06 3.889798e+06 3.969858e+06 1.751616e+06 2.738739e+06 4.316822e+06 4.810395e+06 3.513086e+06 3.238968e+06 1.188530e+06 2.851916e+06 1.086543e+06 1.161209e+06 1.616705e+06 1.538326e+06 4.114207e+06 1.632880e+06 1.183206e+06 3.264024e+06 2.915857e+06 2.258072e+05 1.812458e+06 1.303953e+06 3.136667e+06 3.510882e+06 4.687298e+06 1.817218e+06 1.223512e+06 3.849038e+06 1.594703e+06 3.882857e+06 4.113463e+06 2.306035e+06 1.086054e+06 1.328059e+06 1.960592e+06 1.110311e+06 3.452497e+06 6.408890e+06 1.278992e+06 4.169237e+06 1.283647e+06 4.736764e+06 3.682023e+06 1.609851e+06 2.863996e+06 5.696532e+06 2.166259e+06 3.573121e+06 1.727721e+06 6.330672e+06 4.987734e+06 5.200350e+06 7.822118e+06 3.809792e+06 5.085317e+06 5.299736e+06 2.350946e+06 6.331076e+06 4.317935e+06 4.480541e+06 6.386999e+06 3.860177e+06 6.345745e+06 5.400111e+06 8.575381e+06 4.890691e+06 7.784397e+06 6.877527e+06 8.924097e+06 3.425375e+06 4.105377e+06 1.487775e+06 5.234544e+06 8.023237e+06 4.479387e+06 4.315794e+06 4.129615e+06 3.239942e+06 1.718311e+06 4.537075e+06 6.286845e+06 3.864217e+06 1.290096e+07 4.298750e+06 6.359264e+06 5.134914e+06 1.670905e+06 1.576565e+06 1.225361e+06 1.794077e+06 4.127204e+06 4.596540e+06 3.463973e+06 4.643883e+06 5.968008e+06 4.899942e+06 7.175350e+06 6.491930e+06 6.946787e+06 4.975502e+06 2.222036e+06 5.999670e+06 9.530674e+06 6.544240e+06 1.557088e+06 5.229604e+06 7.283866e+06 6.372934e+06 5.945075e+06 4.269504e+06 3.721819e+06 3.964011e+06 3.320443e+06 9.922057e+06 6.617973e+06 1.085228e+07 6.008080e+06 5.327875e+06 6.019155e+06 8.115967e+06 5.279309e+06 5.835454e+06 5.278066e+06 2.806993e+06 2.030474e+06 2.249278e+06 4.878383e+06 4.322251e+06 5.542356e+06 4.633572e+06 4.857392e+06 4.933685e+06 3.629830e+06 6.257838e+06 5.448455e+06 5.342421e+06 4.079295e+06 6.274191e+06 5.130689e+06 1.955452e+06 4.962056e+06 4.363630e+06 7.205274e+06 3.079651e+06 3.669167e+06 6.769100e+06 3.536623e+06 7.125746e+06 2.240803e+06 4.297192e+06 "6-Hydroxy-5-methyl-4,11-dioxoundecanoic acid_1.745" 3.622619e+05 1.380897e+07 1.101813e+07 1.265754e+07 1.079890e+05 1.242425e+07 1.316345e+07 1.442766e+07 165174.75 1.204126e+07 1.203216e+07 1.336882e+07 142196.64 1.362094e+07 1.053894e+07 1.412745e+07 1.063412e+05 1.336300e+07 1.181651e+07 1.198667e+07 2.733721e+05 1.326381e+07 1.278470e+07 1.424775e+07 129997.311 1.125106e+07 1.380525e+07 1.322521e+07 1.218779e+05 1.089178e+07 1.225736e+07 1.613334e+07 163135.93 9.746179e+06 1.407776e+07 1.359537e+07 2.002677e+05 1.053770e+07 1.237337e+07 1.354294e+07 1.844699e+05 1.189005e+07 1.400804e+07 1.929950e+07 2.932631e+05 4.635380e+06 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3.521635e+05 5.302225e+05 5.072403e+05 C18 H27 N5 O4_1.746 5.442928e+04 2.558318e+07 3.854718e+07 3.632503e+07 4.514617e+04 3.318510e+07 2.101041e+07 2.726797e+07 84639.94 2.940896e+07 3.851938e+07 3.640791e+07 73135.35 3.518078e+07 2.695451e+07 3.873652e+07 6.000831e+04 2.353497e+07 3.168550e+07 3.109129e+07 1.579495e+05 3.088758e+07 2.659677e+07 3.126924e+07 65877.349 3.544380e+07 3.525289e+07 3.253978e+07 5.652295e+04 2.980604e+07 3.341327e+07 3.663772e+07 79451.80 1.951456e+07 3.621521e+07 3.315317e+07 9.591342e+04 2.764786e+07 3.383004e+07 3.081437e+07 8.320592e+04 2.776192e+07 3.309002e+07 4.417344e+07 1.149164e+05 2.100092e+07 3.703393e+07 2.668860e+07 2.703910e+07 2.985701e+07 6.608749e+06 4.564053e+07 2.898027e+07 2.649274e+07 3.056381e+07 2.961854e+07 2.854561e+07 3.157101e+07 2.978249e+07 2.711214e+07 3.849344e+07 2.267630e+07 2.721481e+07 2.883833e+07 4.172682e+07 3.101092e+07 3.453023e+07 2.367593e+07 2.197970e+07 2.616706e+07 6.806747e+07 3.295330e+07 3.222835e+07 4.642599e+07 1.949626e+07 2.458519e+07 1.981042e+07 4.322950e+07 9.285110e+04 3.665564e+07 3.243980e+07 3.983146e+07 1.919455e+07 2.900020e+07 2.258098e+07 3.391690e+07 1.497344e+07 8.971369e+06 2.599593e+07 2.326278e+07 2.041697e+07 3.553964e+07 2.099692e+07 2.400303e+07 2.336302e+07 2.143327e+07 4.000540e+07 2.162981e+07 3.581565e+07 1.796571e+07 2.385598e+07 2.513867e+07 1.748269e+07 2.418108e+07 2.531232e+07 2.975497e+07 1.208867e+07 2.738673e+07 7.832815e+06 2.654240e+07 2.142141e+07 3.304291e+07 2.936416e+07 3.362041e+07 5.716895e+07 1.943862e+07 3.722903e+07 3.334128e+07 1.858658e+07 2.297609e+07 1.772645e+07 6.222719e+06 1.397982e+07 1.799508e+07 1.316479e+07 1.907873e+07 4.032385e+07 2.029710e+07 1.155832e+07 2.745907e+07 2.234449e+07 8.552024e+04 2.697851e+07 2.400285e+07 3.121328e+07 2.957811e+07 2.677553e+07 3.209225e+07 2.070573e+07 2.577236e+07 1.278055e+07 2.720560e+07 3.602006e+07 1.782020e+07 3.315639e+07 3.526526e+07 1.033940e+07 2.564084e+07 2.135679e+07 3.534514e+07 3.084403e+07 3.129414e+07 1.891756e+07 2.506869e+07 2.581177e+07 3.377972e+07 2.523039e+07 4.697338e+07 4.186199e+07 2.880673e+07 2.543694e+07 2.981547e+07 2.938575e+07 3.289670e+07 2.581750e+07 2.165155e+07 2.193321e+07 2.646506e+07 2.377414e+07 1.673945e+07 2.992961e+07 2.379779e+07 1.916359e+07 1.993459e+07 2.979456e+07 3.341606e+07 1.542307e+07 3.355141e+07 3.442732e+07 3.455939e+07 8.930361e+07 1.569756e+07 3.187282e+07 8.027126e+07 3.582976e+07 2.973697e+07 3.341972e+07 2.002066e+07 9.471949e+07 1.326580e+07 7.340363e+07 4.298000e+07 2.365506e+07 4.207468e+07 2.804416e+07 2.240159e+07 1.017238e+08 7.587206e+07 2.200176e+07 9.007494e+07 8.014003e+07 7.908396e+07 2.929816e+07 2.570456e+07 4.389081e+07 3.403103e+07 2.862417e+07 1.873931e+07 3.212326e+07 3.873155e+07 2.829402e+07 2.282945e+07 2.553618e+07 3.547437e+07 4.076668e+07 4.435242e+07 6.852895e+07 3.756323e+07 5.160683e+07 3.109848e+07 3.759227e+07 2.115841e+07 2.602453e+07 3.943524e+07 4.738462e+07 6.289140e+07 2.812092e+07 4.620064e+07 4.073810e+07 3.574780e+07 3.400486e+07 2.970958e+07 4.040084e+07 4.284883e+07 2.374149e+07 3.799538e+07 4.471353e+07 3.109662e+07 3.103913e+07 3.245009e+07 3.511888e+07 4.276878e+07 4.269181e+07 3.304453e+07 4.278930e+07 4.877761e+07 4.406279e+07 4.313739e+07 3.140426e+07 3.130569e+07 4.963971e+07 2.417595e+07 5.881004e+07 1.826352e+07 7.836487e+07 2.620501e+07 2.872115e+07 1.996089e+07 1.460026e+07 2.564479e+07 4.023623e+07 3.737811e+07 C8 H13 N P2_1.746 9.138984e+04 1.157491e+06 1.153126e+06 9.069853e+05 7.092322e+04 1.136059e+06 9.830285e+05 1.188971e+06 101620.04 1.198894e+06 1.279761e+06 9.696793e+05 88030.54 1.095181e+06 1.129394e+06 1.163560e+06 6.494225e+04 8.947689e+05 1.046678e+06 1.149427e+06 1.499714e+05 1.156551e+06 1.153560e+06 9.781025e+05 70399.429 1.329739e+06 1.348133e+06 9.624412e+05 7.836930e+04 8.420480e+05 8.956569e+05 1.183977e+06 108172.31 1.102445e+06 1.132658e+06 1.494832e+06 1.152518e+05 7.689761e+05 1.135940e+06 7.267753e+05 9.632976e+04 1.516405e+06 1.176979e+06 1.159637e+06 1.356830e+05 9.602439e+05 1.022374e+06 1.175713e+06 1.780213e+06 1.129697e+06 6.356544e+05 9.467440e+05 1.241345e+06 1.277229e+06 1.224637e+06 6.649257e+05 1.585835e+06 1.017702e+06 9.722199e+05 9.818252e+05 1.587463e+06 1.327453e+06 1.096372e+06 9.788814e+05 1.366876e+06 9.256504e+05 1.053051e+06 1.228739e+06 1.068268e+06 9.199429e+05 1.091099e+06 1.159273e+06 1.566529e+06 1.042570e+06 9.920638e+05 8.130204e+05 1.037878e+06 1.063806e+06 1.551291e+05 1.520051e+06 1.101129e+06 9.107946e+05 1.329662e+06 1.158357e+06 8.315845e+05 1.351959e+06 1.254229e+06 1.184931e+06 1.120324e+06 1.058738e+06 1.075658e+06 1.014411e+06 1.299676e+06 8.705392e+05 1.202000e+06 1.001769e+06 1.192491e+06 1.041957e+06 6.845971e+05 1.251087e+06 1.098503e+06 8.146142e+05 1.025401e+06 9.792941e+05 1.186288e+06 2.357170e+06 1.128918e+06 7.609321e+05 1.075141e+06 1.199325e+06 9.770421e+05 1.362977e+06 1.256688e+06 1.166739e+06 1.418630e+06 1.219630e+06 1.373841e+06 1.541343e+06 8.175237e+05 1.844789e+06 1.095622e+06 1.057456e+06 1.345349e+06 9.590911e+05 1.191192e+06 9.148437e+05 1.172982e+06 1.396795e+06 1.203977e+06 1.091705e+06 1.853599e+06 1.043672e+05 1.134053e+06 8.340910e+05 1.365749e+06 1.180158e+06 1.060354e+06 8.614694e+05 1.127535e+06 1.332653e+06 1.213310e+06 1.060173e+06 1.235614e+06 9.847914e+05 1.199180e+06 1.227637e+06 1.316542e+06 9.122342e+05 1.139397e+06 1.145509e+06 9.864039e+05 9.377393e+05 9.918550e+05 1.231283e+06 1.052454e+06 1.496540e+06 1.180201e+06 9.300890e+05 8.358141e+05 1.034140e+06 1.110494e+06 8.854992e+05 1.035042e+06 1.367642e+06 1.260881e+06 1.047527e+06 1.193227e+06 1.132467e+06 1.153818e+06 1.195380e+06 1.404314e+06 1.069124e+06 1.209833e+06 1.077185e+06 1.045543e+06 1.302987e+06 1.077456e+06 1.119759e+06 1.064380e+06 1.440182e+06 1.033755e+06 1.736053e+06 1.012754e+06 1.120926e+06 9.067808e+05 1.155125e+06 1.115374e+06 1.125104e+06 9.771254e+05 1.060027e+06 1.224023e+06 1.086378e+06 1.322819e+06 1.694454e+06 8.774961e+05 1.214681e+06 9.702762e+05 7.360523e+05 1.105811e+06 8.331087e+05 9.602994e+05 6.233484e+05 1.302910e+06 1.142621e+06 1.206817e+06 9.305223e+05 1.074933e+06 1.258754e+06 7.184647e+05 1.026335e+06 1.488534e+06 1.120700e+06 1.073219e+06 1.142328e+06 1.483378e+06 1.070875e+06 1.018968e+06 1.013110e+06 1.140936e+06 8.622943e+05 1.085544e+06 7.405381e+05 6.918401e+05 1.170234e+06 7.002506e+05 1.197261e+06 1.346533e+06 8.273270e+05 1.015036e+06 9.280319e+05 9.978535e+05 1.303623e+06 9.842184e+05 1.179540e+06 1.368348e+06 1.074836e+06 1.373783e+06 1.268385e+06 1.362407e+06 1.348054e+06 8.062013e+05 1.126344e+06 1.120791e+06 1.358776e+06 8.399977e+05 1.334986e+06 1.240314e+06 9.873148e+05 1.049960e+06 1.198326e+06 1.285624e+06 1.035498e+06 1.387223e+06 8.613553e+05 1.212727e+06 1.030097e+06 1.115331e+06 1.592844e+06 1.192690e+06 1.044856e+06 8.937388e+05 9.984976e+05 C22 H41 N P2_1.746 3.319798e+04 2.353539e+05 2.631206e+05 1.805150e+05 2.654890e+04 3.620561e+05 2.190080e+05 3.038180e+05 44043.75 1.779213e+05 3.252606e+05 3.237597e+05 40700.27 2.196022e+05 1.620442e+05 3.258911e+05 2.651335e+04 2.198529e+05 3.134526e+05 2.748840e+05 9.791258e+04 1.683035e+05 3.022387e+05 2.743122e+05 49658.583 2.101172e+05 1.917767e+05 2.668923e+05 2.880373e+04 1.859013e+05 3.824445e+05 3.069949e+05 34498.73 8.406875e+04 1.978475e+05 2.146809e+05 5.029327e+04 2.834422e+05 2.177583e+05 2.944718e+05 4.759180e+04 2.013195e+05 1.057703e+05 3.102723e+05 6.563346e+04 8.774950e+04 3.221274e+05 1.737296e+05 1.936941e+05 2.903017e+05 3.293710e+05 2.276925e+05 2.522404e+05 1.257683e+05 2.386219e+05 3.437948e+05 2.758015e+05 1.157784e+05 3.030140e+05 1.879915e+05 1.659914e+05 3.080415e+05 1.329575e+05 2.351964e+05 1.526021e+05 2.527168e+05 2.276195e+05 9.207871e+04 9.722672e+04 1.687790e+05 9.718673e+04 1.500409e+05 1.051751e+05 2.069747e+05 2.928101e+05 1.588185e+05 2.612703e+05 3.675519e+05 1.123772e+05 2.357072e+05 1.612910e+05 3.006064e+05 1.233019e+05 2.028935e+05 8.513618e+04 1.490830e+05 2.425344e+05 7.445237e+04 1.322146e+05 2.333068e+05 1.162304e+05 1.802521e+05 4.085789e+05 6.155574e+04 1.588286e+05 1.747000e+05 1.515329e+05 3.326286e+05 1.916227e+05 1.983833e+05 1.234168e+05 1.083660e+05 3.279596e+05 9.782220e+04 2.299549e+05 1.343339e+05 1.331222e+05 9.032248e+04 7.523661e+04 2.599328e+05 2.390942e+05 2.624490e+05 1.171062e+05 5.320055e+05 4.727908e+05 1.855986e+05 5.065970e+05 3.923088e+05 1.951042e+05 2.690580e+05 1.297098e+05 1.811690e+05 1.676990e+05 3.693047e+05 1.653120e+05 2.758060e+05 3.872033e+05 2.009147e+05 1.881958e+05 1.128932e+05 2.284127e+05 4.741938e+04 1.691259e+05 3.200533e+05 1.914646e+05 3.037003e+05 2.081584e+05 2.283240e+05 1.855060e+05 3.249494e+05 9.508209e+04 4.944804e+05 1.495877e+05 1.323892e+05 1.729556e+05 1.243203e+05 1.079112e+05 7.036930e+04 8.488505e+04 1.950910e+05 1.250914e+05 2.199349e+05 1.702986e+05 2.448233e+05 1.765165e+05 2.356493e+05 3.809809e+05 1.845403e+05 8.529454e+05 2.306203e+05 2.570328e+05 1.676755e+05 3.473953e+05 3.884151e+05 1.706471e+05 8.633439e+04 2.295068e+05 1.931628e+05 1.798510e+05 2.168967e+05 1.483739e+05 3.756645e+05 2.691965e+05 3.401764e+05 3.643150e+05 2.152354e+05 9.327199e+04 1.124429e+05 1.552696e+05 1.272709e+05 2.827522e+05 2.203201e+05 3.165077e+05 1.316421e+05 4.937455e+05 3.642653e+05 3.459859e+05 2.831949e+05 1.115272e+05 1.689284e+05 2.764835e+05 9.664674e+04 2.169175e+05 3.817164e+05 1.427265e+05 3.579898e+05 1.573559e+05 1.366761e+05 2.223424e+05 2.349652e+05 1.413614e+05 4.956471e+05 4.778660e+05 1.304686e+05 3.077912e+05 1.370007e+05 2.615567e+05 2.315019e+05 6.190816e+05 2.964292e+05 4.605612e+05 2.822354e+05 3.356478e+05 2.846907e+05 7.955730e+05 3.606951e+05 2.948441e+05 1.541884e+05 4.533616e+05 5.062548e+05 1.824254e+05 1.745302e+05 2.800351e+05 4.379768e+05 8.506041e+05 5.523153e+05 4.197308e+05 7.285643e+05 7.654355e+05 3.619895e+05 5.598881e+05 1.961844e+05 1.245937e+05 4.292013e+05 4.750064e+05 2.055549e+05 2.956289e+05 9.307594e+04 1.714686e+05 3.263556e+05 5.105644e+05 3.060756e+05 6.730571e+05 3.753842e+05 4.882495e+05 3.644642e+05 5.448462e+05 3.556351e+05 4.041351e+05 3.250227e+05 6.107210e+05 1.054867e+05 5.223301e+05 2.233110e+05 1.414992e+06 1.809589e+05 2.097284e+05 1.171502e+05 1.984174e+05 4.165060e+05 2.680444e+05 4.335429e+05 C14 H29 N O6_1.746 3.639761e+04 2.179392e+06 2.037143e+06 2.083358e+06 3.053979e+04 2.071380e+06 1.713105e+06 2.972263e+06 67277.39 2.043523e+06 2.028938e+06 1.620437e+06 77245.23 1.513268e+06 2.302978e+06 2.634780e+06 5.827398e+04 1.356337e+06 2.569002e+06 2.353612e+06 1.508942e+05 2.463103e+06 2.300171e+06 9.745990e+05 87146.549 1.335863e+06 1.430152e+06 3.147413e+06 6.935701e+04 3.549718e+06 1.723393e+06 1.617876e+06 106078.96 1.238278e+06 1.336959e+06 3.170384e+06 1.093871e+05 2.239209e+06 1.659176e+06 2.997102e+06 9.092079e+04 6.770082e+05 2.757875e+06 3.222048e+06 1.497364e+05 1.565199e+06 1.457601e+06 1.853063e+06 1.041509e+06 6.255681e+05 8.166336e+05 5.436144e+05 1.810284e+06 7.817760e+05 4.648373e+05 1.113733e+06 4.348844e+05 4.472215e+05 1.652699e+06 1.248040e+06 3.378925e+06 1.645284e+06 7.209189e+05 7.134604e+05 1.431581e+06 8.252951e+05 1.119257e+06 8.537580e+05 1.867928e+06 1.043585e+06 8.717073e+05 1.186382e+06 2.252216e+06 8.555083e+05 7.443651e+05 1.134757e+06 7.254723e+05 1.108020e+06 8.765701e+04 3.185901e+05 4.792577e+05 4.511176e+05 4.027575e+05 3.682680e+05 6.758896e+05 1.418036e+06 1.699711e+06 3.271187e+05 6.974385e+05 8.708438e+05 4.621330e+05 1.245432e+06 4.198314e+05 4.547171e+05 8.823916e+05 5.526034e+05 8.689392e+05 8.435314e+05 2.202915e+06 9.477939e+05 6.635149e+05 1.878165e+06 7.500915e+05 5.790117e+05 7.180520e+05 9.523362e+05 7.818340e+05 3.803180e+06 1.378319e+05 2.659381e+05 4.541934e+05 4.795422e+05 7.400039e+05 3.740219e+05 6.507961e+05 4.599911e+05 4.054852e+05 6.423412e+05 4.405248e+05 8.914271e+05 3.313569e+05 5.239124e+05 6.964610e+05 8.524868e+06 1.614953e+05 4.861603e+05 2.914214e+05 1.989983e+06 1.200632e+06 3.578017e+05 5.666143e+05 1.009199e+05 8.118971e+05 9.491213e+05 5.228383e+05 3.685248e+05 3.485759e+06 8.592389e+05 7.351463e+05 5.721505e+05 3.879009e+05 3.681952e+06 8.028244e+05 3.231756e+05 1.841532e+05 6.611174e+05 1.061030e+06 8.123995e+05 8.393986e+06 8.752304e+05 1.917339e+05 6.386995e+05 4.967077e+05 8.939771e+05 1.640708e+06 7.094802e+05 7.556246e+05 4.728785e+05 3.486287e+05 2.336707e+06 3.050199e+06 8.327335e+05 5.789643e+05 1.301983e+06 4.401272e+05 5.080336e+05 4.404402e+05 1.528354e+06 4.362701e+05 8.499380e+05 7.404355e+05 1.000525e+06 8.581666e+05 6.074891e+05 6.414609e+05 5.676037e+05 7.592850e+05 1.129184e+06 3.817985e+05 2.861366e+06 7.823590e+06 8.084570e+06 3.927987e+06 1.498545e+06 1.439917e+06 4.207347e+06 2.842639e+06 1.747174e+06 4.115151e+06 1.599057e+06 8.979193e+06 2.917437e+06 4.546861e+06 5.396266e+06 9.347577e+06 2.771289e+06 6.245365e+06 9.946338e+06 1.715708e+06 6.020648e+06 6.035751e+06 4.974554e+06 1.180481e+06 3.611353e+06 3.116823e+06 3.403855e+06 4.577584e+06 1.140446e+06 2.740415e+06 3.487395e+06 4.577127e+06 2.907087e+06 3.793725e+06 5.985147e+06 8.233179e+06 2.979659e+06 7.644256e+06 4.043950e+06 5.373676e+06 4.877106e+06 3.597405e+06 1.780242e+06 2.571880e+06 1.945663e+06 4.393717e+06 5.670037e+06 4.345907e+06 3.012214e+06 3.585982e+06 3.025381e+06 2.391200e+06 5.016944e+06 4.947421e+06 3.792800e+06 3.632783e+06 4.106218e+06 3.222907e+06 3.625863e+06 2.049184e+06 1.461344e+06 6.945888e+05 6.167320e+05 1.290365e+06 7.475476e+05 8.103425e+05 9.955302e+05 6.762406e+05 3.929122e+05 4.742737e+05 5.715310e+05 2.788897e+05 3.325694e+06 1.006659e+06 6.167186e+05 6.594470e+05 4.948114e+05 2.386668e+05 8.398499e+05 6.954041e+06 1.746512e+07 9.485272e+05 2.612757e+06 517.18439_1.746 2.643304e+05 7.524583e+06 2.903716e+07 3.002571e+07 2.104721e+05 1.254693e+07 1.377981e+07 1.072917e+07 288645.48 2.054539e+07 7.944052e+06 3.149637e+07 162270.97 5.036862e+06 2.934533e+07 3.059248e+07 1.076529e+05 1.123586e+07 1.624946e+07 4.846943e+06 3.052115e+05 5.196458e+06 2.948475e+07 2.598238e+07 104334.102 5.927414e+06 2.728922e+07 2.811137e+07 6.407020e+04 3.533213e+06 1.753518e+07 1.633424e+07 77948.35 1.945204e+07 1.533033e+07 1.375914e+07 6.880637e+04 2.257707e+07 1.858283e+07 1.324880e+07 6.163667e+04 2.825884e+07 1.504701e+07 1.729388e+07 1.273996e+05 1.322912e+07 2.691127e+07 9.721587e+06 1.732262e+07 2.314949e+07 5.158198e+06 1.177718e+07 1.543486e+07 1.705425e+07 2.744346e+07 1.353428e+07 3.372743e+07 3.452836e+07 1.068793e+07 2.251150e+07 8.720162e+06 1.916048e+07 3.943249e+06 1.739449e+07 1.487821e+07 1.853666e+07 3.449702e+06 1.522157e+07 3.698939e+07 2.533366e+07 1.545499e+07 3.098177e+07 2.847496e+07 3.719086e+07 1.958561e+07 1.883645e+07 3.070419e+07 4.063909e+07 2.924876e+05 1.498303e+07 1.184718e+07 2.868478e+07 1.116789e+07 3.447820e+07 3.872507e+06 1.704416e+07 9.922285e+06 2.844423e+07 3.802475e+07 2.698316e+07 1.707414e+07 7.533887e+06 2.135334e+07 1.063215e+07 1.959154e+07 2.909371e+07 1.711334e+07 1.431901e+07 5.155355e+06 9.341774e+06 2.469900e+07 1.322615e+07 2.836564e+07 1.627125e+07 1.685204e+07 1.918634e+07 1.563888e+07 1.597062e+07 1.959054e+07 8.970716e+06 1.518959e+07 3.016164e+07 2.647101e+07 1.613523e+07 6.421137e+06 2.000026e+07 2.814968e+07 1.695624e+07 2.262676e+07 1.730016e+07 1.130419e+07 3.410901e+06 1.313020e+07 2.202784e+07 1.562957e+07 1.340123e+07 1.332184e+07 3.268865e+07 2.492259e+07 7.296878e+06 1.945935e+07 6.942539e+04 4.361334e+06 1.977551e+07 2.733352e+07 5.265663e+06 2.356720e+07 2.561578e+07 2.211559e+07 4.385868e+06 1.160752e+07 3.079237e+07 2.402040e+07 2.135714e+07 1.703954e+07 1.658567e+07 1.515229e+07 1.387562e+07 1.067414e+07 2.059404e+07 4.604398e+06 2.095481e+07 2.926199e+07 1.204228e+07 3.088620e+07 1.282516e+07 1.999422e+07 1.497792e+07 5.594814e+06 6.707818e+06 2.058546e+07 1.373877e+07 2.364542e+07 2.336006e+07 1.017944e+07 2.204972e+07 1.301427e+07 1.273555e+07 1.329232e+07 1.356955e+07 1.427482e+07 3.859874e+07 1.462642e+07 2.409421e+07 3.240073e+07 1.026745e+07 1.497638e+07 1.625491e+07 2.620502e+07 2.259858e+07 1.145175e+07 2.734163e+07 2.701996e+07 5.644527e+06 3.411160e+07 2.080024e+07 8.118096e+06 7.043115e+06 6.972297e+06 1.022488e+07 1.950008e+07 1.177396e+07 2.035507e+07 1.616267e+07 1.277645e+07 4.084241e+07 1.542723e+07 2.016417e+07 1.630660e+07 3.222347e+07 9.283080e+06 3.871990e+07 2.071900e+07 3.353869e+07 1.227817e+07 3.221860e+07 2.231591e+07 1.673001e+07 3.766064e+07 1.195303e+07 1.738569e+07 2.404925e+07 2.705645e+07 1.656030e+07 3.537573e+07 3.223183e+07 1.975945e+07 5.972927e+06 3.938919e+07 4.661903e+06 1.220457e+07 9.249864e+06 1.491928e+07 1.574793e+07 3.168412e+07 1.090802e+07 1.388702e+07 1.409649e+07 3.593033e+07 1.619253e+07 3.872644e+07 1.521960e+07 2.162675e+07 3.662719e+07 2.844470e+07 1.739433e+06 1.596967e+07 1.649381e+07 3.894963e+07 2.326047e+07 3.116057e+07 1.071878e+07 3.135156e+07 1.300600e+07 4.962295e+06 2.729379e+07 2.605479e+07 6.226277e+06 2.946508e+07 2.526092e+07 7.123451e+06 1.442570e+07 4.382423e+07 1.045612e+07 2.093881e+07 9.412058e+06 1.491491e+07 1.390991e+07 2.149557e+07 1.338424e+07 1.747054e+07 3.048253e+07 C4 H8 N2_1.746 1.749516e+05 4.641101e+06 4.046808e+06 3.255457e+06 6.128450e+04 3.323905e+06 2.990240e+06 4.009148e+06 63274.76 3.990678e+06 3.989328e+06 4.641079e+06 48768.08 4.315121e+06 4.104900e+06 4.798715e+06 4.356476e+04 1.470547e+06 4.910926e+06 2.010172e+06 1.158987e+05 2.572356e+06 5.304392e+06 5.362039e+06 47160.044 3.801399e+06 2.096767e+06 4.988277e+06 3.502278e+04 4.313450e+06 1.780721e+06 6.702552e+06 62114.76 4.146859e+06 3.675633e+06 1.732954e+06 7.927604e+04 9.529966e+05 5.205162e+06 5.120317e+06 5.681458e+04 3.272635e+06 4.685254e+06 6.630653e+06 9.613151e+04 1.598614e+06 2.702416e+06 3.592083e+06 1.351853e+06 4.657244e+06 7.983265e+05 3.447795e+06 1.851665e+06 2.853472e+06 6.791902e+06 9.620424e+06 6.452724e+06 7.202304e+06 3.775474e+06 2.395401e+06 7.845160e+06 2.755528e+06 6.522981e+06 4.354439e+06 2.931075e+06 6.087883e+06 4.998245e+06 1.587185e+06 6.631055e+06 5.423876e+06 8.111538e+06 6.582612e+06 3.419181e+06 8.160153e+06 1.478904e+06 2.937943e+06 2.591832e+06 2.939647e+06 8.445879e+04 3.052435e+06 2.178721e+06 3.077226e+06 2.642128e+06 5.409455e+06 2.178522e+06 2.280130e+06 1.264904e+05 2.340791e+06 5.713798e+06 3.230260e+06 2.014763e+06 5.042455e+06 1.688512e+06 4.880431e+06 7.104445e+06 6.926388e+06 5.718613e+06 3.267505e+06 6.612806e+06 2.274308e+06 6.710571e+06 1.585958e+06 9.177104e+05 5.818713e+06 3.114991e+06 6.809392e+06 3.798399e+05 3.420586e+06 2.621421e+06 3.385852e+06 3.349586e+06 4.250813e+06 5.976876e+06 3.599180e+06 2.933338e+06 4.605258e+06 3.180957e+06 2.561688e+06 2.813148e+05 3.970748e+06 1.475831e+06 1.521679e+06 2.681262e+06 1.827146e+05 1.724354e+06 1.757441e+06 7.225916e+06 2.409718e+06 1.684320e+05 3.455415e+06 3.137518e+06 7.849002e+04 2.551846e+06 3.524302e+05 4.242234e+06 2.078369e+06 8.457211e+06 5.615337e+06 3.904358e+06 2.560698e+06 2.284071e+06 3.809222e+06 1.487832e+06 2.707894e+06 5.208416e+06 2.307892e+06 1.638565e+06 4.096799e+06 2.474499e+06 3.531364e+06 4.270090e+06 5.356102e+06 2.911761e+06 2.499536e+06 6.038858e+06 6.255373e+06 4.792257e+06 8.480225e+06 9.533569e+06 4.967371e+06 6.200277e+06 7.866124e+06 5.469839e+06 8.690299e+06 3.311392e+06 2.022557e+06 2.218713e+06 4.585752e+06 2.022837e+06 4.659021e+06 1.999362e+06 4.768158e+06 1.922813e+06 3.351400e+06 8.811919e+06 4.772004e+06 7.019129e+06 3.150181e+06 8.537418e+06 6.473767e+06 3.078884e+06 5.382040e+06 4.942329e+06 7.334121e+06 4.067016e+06 6.064188e+06 2.495183e+06 2.068236e+06 7.932422e+06 1.088278e+06 8.561857e+06 4.647146e+06 2.950276e+06 5.287834e+06 6.389023e+06 3.836711e+06 5.445028e+06 9.373462e+06 3.922351e+06 1.088342e+07 4.626327e+06 8.561259e+06 4.936448e+06 3.594390e+06 6.776961e+06 3.242902e+06 4.677544e+06 4.599438e+06 5.715671e+06 6.403849e+06 2.406681e+06 7.030273e+05 2.207752e+06 1.243400e+06 1.147510e+07 4.449059e+06 3.963967e+06 1.058666e+06 5.830330e+06 4.968293e+06 4.764134e+06 4.034167e+06 1.391880e+06 6.616578e+06 2.039653e+06 6.329912e+06 1.696565e+06 1.949129e+06 5.090218e+06 6.442358e+06 6.072300e+06 1.052421e+06 2.877552e+06 6.075182e+06 1.707546e+06 2.262040e+06 6.960971e+06 1.056128e+06 4.526872e+06 6.544378e+06 6.773855e+06 4.844279e+06 5.565703e+06 7.264742e+06 3.824953e+06 3.768421e+06 4.308052e+06 4.935760e+06 5.501715e+06 5.482822e+06 1.496314e+06 5.759559e+06 1.597592e+06 5.198721e+06 9.690681e+06 3.044025e+06 4.070837e+06 4.763836e+06 3.300995e+06 1.472082e+06 4.958122e+06 2.602209e+06 C11 H14 O3_1.746 1.896982e+05 1.408706e+06 1.295364e+06 2.363352e+06 8.730544e+04 2.186719e+06 2.672550e+06 1.477824e+06 340912.56 1.968897e+06 8.554078e+05 1.588828e+06 358455.57 3.004889e+06 1.070858e+06 2.574104e+06 3.014887e+05 2.190674e+06 1.869888e+06 1.173645e+06 2.657167e+05 2.465841e+06 1.456763e+06 1.977523e+06 144387.567 1.684620e+06 1.723487e+06 1.968661e+06 2.833347e+05 1.460398e+06 1.893016e+06 2.599333e+06 158204.51 1.238668e+06 2.693954e+06 2.141742e+06 2.697370e+05 1.092068e+06 1.573207e+06 1.824354e+06 2.015558e+05 2.105955e+06 2.308839e+06 2.039043e+06 3.295744e+05 1.180120e+06 4.280066e+06 2.035775e+06 1.734002e+06 2.686787e+06 2.482354e+06 4.509714e+06 1.078153e+06 1.425072e+06 2.188553e+06 2.882586e+06 3.232621e+06 3.036996e+06 4.745374e+06 2.163000e+06 2.386112e+06 4.568674e+06 2.197772e+06 4.342104e+06 4.344997e+06 4.064660e+06 3.966186e+06 1.612790e+06 8.330758e+05 4.322532e+06 3.426108e+06 4.070818e+06 3.236597e+06 5.038785e+06 3.710997e+06 3.454674e+06 2.528869e+06 2.765304e+06 2.766824e+05 2.149785e+06 2.511851e+06 8.488228e+05 2.489080e+06 2.426317e+06 1.652730e+06 1.409801e+06 1.690781e+06 7.217919e+05 1.125016e+06 1.707480e+06 4.018963e+06 2.179243e+06 2.300929e+06 4.108866e+06 6.620259e+06 2.393569e+06 2.465180e+06 2.976996e+06 9.015984e+05 2.587929e+06 2.530066e+06 2.582285e+06 2.510658e+06 3.493237e+06 1.290179e+06 6.195890e+06 2.999372e+06 1.940413e+06 2.145912e+06 2.714928e+06 1.301033e+06 6.352832e+06 2.146140e+06 4.001129e+06 1.077495e+06 7.662983e+05 5.797983e+06 3.676076e+06 1.003505e+06 3.599554e+06 1.021389e+06 9.888334e+05 1.299220e+06 1.525147e+06 1.451641e+06 1.386824e+06 3.795440e+06 1.907328e+06 7.182109e+05 6.950422e+05 1.455076e+06 2.162657e+05 3.509952e+06 4.372693e+06 1.671608e+06 2.193712e+06 6.438346e+06 4.548611e+06 4.055605e+06 4.540463e+06 1.775143e+06 2.302118e+06 3.996374e+06 1.837395e+06 1.638805e+06 1.211745e+06 1.939647e+06 1.122382e+06 1.017638e+06 1.790035e+06 3.498974e+06 2.920055e+06 1.718066e+06 4.014587e+06 2.033288e+06 1.169230e+06 4.112550e+06 5.713938e+06 8.122401e+06 2.395133e+06 5.082347e+06 4.217817e+06 2.700332e+06 1.689282e+06 1.466189e+06 6.159550e+05 1.405343e+06 1.784817e+06 1.377540e+06 1.372149e+06 1.907490e+06 1.166183e+06 1.489203e+06 1.462388e+06 4.405296e+06 9.825519e+05 1.280214e+06 2.576324e+06 3.508428e+06 1.040951e+06 2.707852e+06 2.347322e+06 1.678612e+06 1.616156e+06 1.185745e+06 1.651990e+06 1.111423e+06 1.475815e+06 5.177395e+06 1.792404e+06 2.557385e+06 1.346910e+06 3.412505e+06 2.733490e+06 2.757581e+06 1.142546e+06 1.308808e+07 2.864118e+06 1.176027e+06 5.149232e+06 5.367183e+06 2.401545e+06 1.896835e+06 1.118427e+06 1.228766e+06 7.266729e+05 1.723495e+06 8.988893e+05 1.888195e+06 3.162448e+06 1.287155e+06 1.511294e+06 3.597479e+06 1.352791e+06 1.851403e+06 1.008424e+06 6.546240e+06 3.988302e+06 1.641638e+06 3.147734e+06 1.409483e+06 1.699727e+06 2.325259e+06 3.342440e+06 1.611232e+06 4.133734e+06 4.477071e+06 2.802799e+06 8.758254e+05 9.128640e+05 1.536342e+06 5.019285e+06 3.094786e+06 2.564054e+06 1.962064e+06 1.582274e+06 2.033287e+06 1.303858e+06 2.596855e+06 2.461020e+06 4.764730e+06 2.457564e+06 4.199091e+06 2.955633e+06 8.370832e+05 4.870921e+06 4.778262e+06 2.731379e+06 7.878517e+05 1.419660e+06 9.349380e+05 1.574798e+06 1.000464e+06 2.312331e+06 1.529606e+06 5.445011e+05 1.843422e+06 4.734297e+06 1.846122e+06 2.831188e+06 1.559807e+06 2.580524e+06 C7 H21 N8 P_1.746 1.175113e+05 2.515989e+06 2.380816e+06 2.651139e+06 9.376916e+04 2.394922e+06 2.643741e+06 3.127233e+06 155682.42 2.112924e+06 2.856863e+06 2.547732e+06 143629.37 2.129014e+06 2.396204e+06 2.675406e+06 1.056762e+05 2.881609e+06 2.186855e+06 2.036237e+06 2.453273e+05 2.980153e+06 2.527458e+06 2.494436e+06 105514.699 2.536283e+06 3.225953e+06 2.354258e+06 9.433765e+04 2.324323e+06 2.877884e+06 1.911968e+06 162358.89 2.324795e+06 3.302005e+06 2.274657e+06 1.990594e+05 1.872451e+06 2.978310e+06 1.893741e+06 1.689055e+05 3.259790e+06 2.774760e+06 2.446254e+06 2.396622e+05 2.645310e+06 2.107221e+06 2.752921e+06 2.358475e+06 2.774951e+06 1.713163e+06 2.012787e+06 2.343312e+06 2.240375e+06 2.527795e+06 2.198371e+06 2.684808e+06 2.728216e+06 2.090996e+06 2.135419e+06 1.951594e+06 1.611232e+06 2.256980e+06 2.526120e+06 1.810961e+06 2.496914e+06 2.519535e+06 1.220953e+06 2.228952e+06 2.288880e+06 2.572161e+06 2.745249e+06 2.357430e+06 2.464828e+06 1.459494e+06 1.613456e+06 2.036870e+06 2.777750e+06 4.066098e+05 2.040759e+06 1.491504e+06 2.787771e+06 2.521270e+06 2.403582e+06 2.012024e+06 3.052374e+06 2.091825e+06 1.817434e+06 2.676484e+06 2.317720e+06 2.792423e+06 2.002390e+06 1.347285e+06 2.217523e+06 2.871852e+06 2.169537e+06 2.753799e+06 2.656632e+06 2.254642e+06 1.845347e+06 2.367034e+06 1.594817e+06 2.083519e+06 2.046070e+06 2.091053e+06 1.872036e+06 1.398680e+06 1.457468e+06 1.506840e+06 1.855168e+06 1.911305e+06 2.020297e+06 2.281931e+06 2.596347e+06 3.349299e+06 2.073254e+06 3.026277e+06 2.846746e+06 1.738023e+06 3.199519e+06 1.293466e+06 1.766587e+06 2.071105e+06 1.362025e+06 1.113434e+06 1.956207e+06 2.729846e+06 1.341496e+06 2.131241e+06 2.394989e+06 1.468070e+06 1.834594e+05 2.273839e+06 1.631292e+06 2.043051e+06 2.682068e+06 2.374596e+06 2.554990e+06 2.043214e+06 2.306822e+06 1.994174e+06 3.029885e+06 3.266413e+06 1.698507e+06 2.116925e+06 2.674005e+06 2.387515e+06 1.657074e+06 2.667557e+06 3.749279e+06 2.418773e+06 1.986222e+06 2.091330e+06 2.065186e+06 2.031462e+06 1.917388e+06 3.336825e+06 4.269551e+06 2.709449e+06 2.414462e+06 2.610615e+06 2.839521e+06 2.314784e+06 3.378810e+06 2.161216e+06 2.152830e+06 2.236642e+06 2.015337e+06 2.112129e+06 2.281456e+06 2.684008e+06 2.681685e+06 2.495010e+06 2.085722e+06 2.567950e+06 2.554957e+06 2.294630e+06 2.616610e+06 2.666898e+06 2.572946e+06 3.072617e+06 2.484857e+06 2.660003e+06 2.624421e+06 2.508011e+06 2.664268e+06 2.530646e+06 2.334935e+06 3.091087e+06 2.316108e+06 1.971789e+06 2.545710e+06 2.394410e+06 3.455331e+06 2.854655e+06 3.251255e+06 2.856971e+06 1.548879e+06 1.849696e+06 3.452397e+06 3.046780e+06 2.902755e+06 3.008051e+06 2.176182e+06 2.713560e+06 2.116191e+06 1.774468e+06 1.605081e+06 2.852509e+06 3.282426e+06 2.781751e+06 2.061434e+06 1.909787e+06 1.874094e+06 3.407292e+06 2.958998e+06 3.095555e+06 2.249660e+06 2.651430e+06 3.079260e+06 2.853491e+06 2.555341e+06 1.567002e+06 3.311743e+06 2.360786e+06 4.367275e+06 3.007527e+06 3.258881e+06 2.994539e+06 2.426664e+06 2.433242e+06 2.912822e+06 3.237785e+06 3.121608e+06 2.688838e+06 2.462431e+06 2.327407e+06 2.568115e+06 2.350593e+06 2.929196e+06 2.463062e+06 3.507210e+06 6.704102e+06 6.844215e+06 4.316453e+06 4.546254e+06 6.656910e+06 2.297570e+06 5.960462e+06 4.880520e+06 3.612009e+06 1.725166e+06 4.710549e+06 2.167250e+06 1.022176e+07 1.891998e+06 2.121081e+06 2.458498e+06 2.042295e+06 3.842236e+06 6.240616e+06 2.662496e+06 "4-(1,2-Dihydroxy-2-propanyl)-1-methyl-1,2-cyclohexanediol_1.747" 2.544682e+05 4.479896e+06 5.065604e+06 2.775066e+06 2.026330e+05 3.600208e+06 4.552599e+06 4.592631e+06 323160.81 3.480669e+06 3.721891e+06 4.302369e+06 269274.40 4.407024e+06 3.708893e+06 4.343811e+06 1.930701e+05 4.193906e+06 3.922978e+06 4.387983e+06 4.663646e+05 3.599848e+06 3.974897e+06 4.295927e+06 219852.068 3.773570e+06 4.893136e+06 4.678215e+06 1.976617e+05 2.807634e+06 4.009803e+06 4.585564e+06 282299.89 3.364662e+06 4.618273e+06 3.826409e+06 3.209264e+05 3.668602e+06 5.424529e+06 4.482053e+06 3.410350e+05 2.770995e+06 2.855686e+06 6.253111e+06 5.489204e+05 3.069087e+06 4.859819e+06 3.365542e+06 4.550819e+06 4.547628e+06 2.026967e+06 1.610935e+06 9.943240e+05 3.810730e+06 1.035455e+06 2.100338e+06 1.313963e+06 1.274158e+06 1.150834e+06 4.919517e+06 2.847467e+06 2.152532e+06 1.876602e+06 1.506774e+06 1.677880e+06 5.072561e+06 4.456312e+06 8.401739e+05 1.192452e+06 1.177594e+06 1.645996e+06 1.604660e+06 2.635717e+06 1.557858e+06 3.659176e+06 3.508105e+06 3.805253e+06 4.953972e+06 3.037044e+05 5.537410e+06 4.958613e+06 4.847445e+06 2.660748e+06 4.748115e+06 2.755232e+06 4.287861e+06 2.215700e+06 1.632703e+06 3.192534e+06 3.866096e+06 3.763287e+06 5.002198e+06 2.861657e+06 1.951961e+06 5.516665e+06 2.751964e+06 3.522958e+06 5.330853e+06 2.009443e+06 2.022924e+06 1.944879e+06 1.956584e+06 3.189999e+06 2.278825e+06 1.895203e+06 3.181941e+06 1.572261e+06 2.866378e+06 1.566814e+06 2.073821e+06 4.010326e+06 4.732903e+06 3.656491e+06 4.197527e+06 7.824578e+06 2.846306e+06 7.564609e+06 5.963578e+06 3.302466e+06 5.530403e+06 2.855180e+06 2.345825e+06 3.367360e+06 4.890394e+06 5.661571e+06 4.776709e+06 9.654091e+06 4.122872e+06 4.071954e+06 5.721097e+06 4.100534e+06 3.702244e+05 4.797431e+06 4.819568e+06 4.417979e+06 5.924516e+06 7.710317e+06 5.798438e+06 3.945398e+06 5.250407e+06 1.204713e+06 7.290177e+06 7.208016e+06 8.806240e+05 1.072808e+06 1.295865e+06 1.533863e+06 7.302042e+05 1.403062e+06 1.608433e+06 1.254674e+06 1.735241e+06 1.166924e+06 2.692056e+06 2.302539e+06 2.322386e+06 5.582227e+06 8.094316e+06 7.431380e+06 4.443026e+06 3.032514e+06 4.411057e+06 2.216982e+06 5.070572e+06 5.054256e+06 3.497371e+06 2.196805e+06 2.844429e+06 3.144680e+06 2.928506e+06 4.565531e+06 3.707438e+06 4.800150e+06 3.695401e+06 8.063245e+06 5.301401e+06 1.062314e+06 1.599582e+06 1.408930e+06 1.310773e+06 2.295103e+06 3.415549e+06 3.018061e+06 1.953725e+06 4.461072e+06 4.229431e+06 4.125002e+06 3.598746e+06 1.531189e+06 2.537740e+06 1.704053e+06 2.355883e+06 1.809378e+06 6.216301e+06 4.786998e+06 4.828942e+06 3.686274e+06 2.304032e+06 1.921344e+06 1.867480e+06 3.400398e+06 3.118211e+06 4.427367e+06 3.923523e+06 4.582912e+06 1.997360e+06 4.360570e+06 1.719614e+06 4.609621e+06 4.687124e+06 2.539229e+06 3.724192e+06 3.666122e+06 4.462717e+06 8.897057e+06 3.599290e+06 5.990579e+06 5.859259e+06 5.064232e+06 6.390581e+06 6.414577e+06 3.322479e+06 2.186111e+06 6.147323e+06 6.506996e+06 7.563104e+06 7.524234e+06 9.175653e+06 6.079173e+06 3.836110e+06 4.925093e+06 6.348102e+06 2.451942e+06 5.588788e+06 5.343137e+06 2.183073e+06 2.184497e+06 2.266635e+06 4.279848e+06 3.512628e+06 4.698026e+06 1.160733e+07 1.255092e+07 1.455775e+07 7.407118e+06 1.212383e+07 1.229202e+07 1.044016e+07 8.953498e+06 1.447327e+07 1.293273e+07 1.285455e+06 1.269940e+07 2.938127e+06 2.169649e+07 1.221560e+06 1.436894e+06 1.093723e+06 1.726196e+06 1.056097e+07 9.391722e+06 1.026334e+07 C10 H15 N7 O2 P2_1.747 4.519062e+05 3.306012e+07 3.237019e+07 3.127799e+07 3.253332e+05 3.129294e+07 3.869116e+07 3.720512e+07 364553.58 3.440574e+07 3.264518e+07 3.336103e+07 279305.79 3.804127e+07 3.142188e+07 3.463421e+07 1.902693e+05 2.919015e+07 3.143004e+07 2.957180e+07 4.357399e+05 5.375911e+07 2.960616e+07 3.476110e+07 213938.300 2.460187e+07 3.855693e+07 4.104763e+07 1.784639e+05 2.512931e+07 2.777601e+07 3.064775e+07 189568.28 4.539202e+07 2.816366e+07 2.761491e+07 1.974964e+05 5.382608e+07 2.404328e+07 2.986109e+07 2.106177e+05 4.586089e+07 2.800466e+07 3.671822e+07 3.930650e+05 2.410497e+07 4.380409e+07 3.087429e+07 3.083189e+07 3.457961e+07 1.846975e+07 2.526194e+07 3.021297e+07 3.229158e+07 3.825223e+07 3.179568e+07 3.547865e+07 3.561374e+07 2.201097e+07 3.806673e+07 2.504213e+07 3.941213e+07 3.362198e+07 2.686441e+07 2.616854e+07 2.946195e+07 3.402514e+07 3.157888e+07 3.232028e+07 3.269316e+07 2.487631e+07 2.918146e+07 4.315668e+07 3.169696e+07 3.189224e+07 4.258724e+07 2.861179e+07 3.413306e+07 8.025604e+05 3.113144e+07 3.795254e+07 3.092934e+07 2.818484e+07 3.879389e+07 3.008645e+07 3.185351e+07 2.884640e+07 4.741764e+07 4.279238e+07 3.936471e+07 2.730057e+07 3.562841e+07 3.652659e+07 3.183145e+07 3.610367e+07 2.892983e+07 2.925915e+07 2.886447e+07 2.935140e+07 3.295991e+07 3.657901e+07 2.985107e+07 3.299048e+07 2.976389e+07 2.520562e+07 3.639742e+07 3.003470e+07 3.489441e+07 4.899783e+07 3.028843e+07 2.637909e+07 3.339775e+07 4.110373e+07 2.667238e+07 3.747527e+07 4.509207e+07 3.513209e+07 4.006261e+07 3.111584e+07 2.838702e+07 2.628618e+07 2.035284e+07 3.524815e+07 2.431599e+07 3.428906e+07 3.030595e+07 3.852049e+07 3.965451e+07 3.344283e+07 3.043595e+07 3.633696e+07 4.485218e+05 3.638864e+07 3.872635e+07 3.304492e+07 3.988402e+07 4.517211e+07 3.188611e+07 3.574527e+07 3.898071e+07 2.218591e+07 3.733476e+07 4.093750e+07 4.873913e+07 4.126108e+07 3.501153e+07 3.092041e+07 3.066808e+07 2.943013e+07 2.799187e+07 3.172366e+07 3.004952e+07 3.651595e+07 2.517218e+07 4.020417e+07 3.652431e+07 2.684887e+07 4.356006e+07 3.924015e+07 2.283993e+07 2.747392e+07 2.304716e+07 3.413795e+07 5.549543e+07 2.311713e+07 2.834870e+07 2.762256e+07 3.378582e+07 3.156829e+07 3.157000e+07 3.196384e+07 4.223078e+07 3.053426e+07 3.943063e+07 4.181298e+07 2.718273e+07 2.719375e+07 2.565566e+07 2.989238e+07 2.808702e+07 2.453479e+07 4.216268e+07 2.664085e+07 2.042709e+07 2.810150e+07 2.521522e+07 3.218811e+07 3.586282e+07 2.538259e+07 1.847576e+07 3.091365e+07 3.069282e+07 3.143764e+07 2.453085e+07 1.859798e+07 3.162741e+07 2.025646e+07 3.914672e+07 3.149965e+07 1.725477e+07 2.679261e+07 2.495339e+07 3.151646e+07 3.248162e+07 3.625359e+07 4.338722e+07 3.771339e+07 3.858788e+07 3.253801e+07 3.306986e+07 3.261824e+07 3.837519e+07 3.410611e+07 3.012126e+07 5.256744e+07 2.372863e+07 2.355683e+07 2.157299e+07 3.920005e+07 3.379137e+07 3.209090e+07 2.968766e+07 4.296789e+07 3.350249e+07 3.276932e+07 3.488622e+07 2.310309e+07 2.714078e+07 3.198618e+07 3.622001e+07 3.426903e+07 2.785781e+07 2.635690e+07 3.247587e+07 3.945540e+07 3.148497e+07 3.980229e+07 3.196383e+07 3.391308e+07 4.322214e+07 3.953340e+07 3.232777e+07 4.439127e+07 3.599026e+07 3.917884e+07 4.286645e+07 3.314349e+07 2.960577e+07 2.903789e+07 2.473779e+07 2.554203e+07 2.612926e+07 2.830312e+07 2.844857e+07 3.078305e+07 3.102835e+07 3.719241e+07 3.801425e+07 3.216062e+07 2.572403e+07 3.301293e+07 3.064898e+07 C6 H19 N4 O3 P_1.747 2.411153e+05 1.963513e+06 3.275306e+06 2.765028e+06 1.075278e+05 3.595776e+06 5.356568e+06 3.630912e+06 173345.67 1.515905e+06 2.953228e+06 2.196204e+06 154080.88 4.486177e+06 2.056942e+06 3.296871e+06 1.366019e+05 4.052062e+06 3.368698e+06 1.999718e+06 3.093581e+05 5.127268e+06 2.345790e+06 2.544996e+06 213027.292 2.731850e+06 2.502155e+06 5.064350e+06 2.014841e+05 2.281523e+06 3.220528e+06 4.443695e+06 288000.79 2.017505e+06 3.169601e+06 4.350065e+06 3.441348e+05 2.169711e+06 2.522819e+06 2.996008e+06 2.803568e+05 2.642528e+06 4.572819e+06 3.766676e+06 3.470084e+05 1.813155e+06 4.221564e+06 2.464018e+06 1.669717e+06 2.603447e+06 2.748543e+06 6.400973e+06 2.125149e+06 2.112808e+06 2.255389e+06 4.374498e+06 5.116362e+06 5.103781e+06 9.042698e+06 3.439788e+06 8.033723e+06 4.474542e+06 3.692078e+06 7.579189e+06 6.478634e+06 5.747986e+06 4.139140e+06 2.313042e+06 2.008788e+06 7.850311e+06 3.848269e+06 4.204834e+06 6.976599e+06 7.938037e+06 5.260168e+06 5.027955e+06 2.546277e+06 3.986639e+06 3.532413e+05 4.244439e+06 4.715907e+06 1.783089e+06 4.567987e+06 2.664564e+06 2.558120e+06 2.585538e+06 1.653648e+06 1.066144e+06 1.576719e+06 2.402977e+06 6.977668e+06 4.541963e+06 3.072106e+06 3.449535e+06 8.321159e+06 3.747178e+06 7.292119e+06 3.352139e+06 2.673080e+06 2.717360e+06 2.665952e+06 3.345200e+06 2.883816e+06 5.438238e+06 3.204087e+06 7.569608e+06 5.509834e+06 3.938669e+06 2.771723e+06 3.973695e+06 2.773446e+06 5.787612e+06 2.727685e+06 3.714026e+06 3.528397e+06 8.720205e+05 6.791816e+06 6.075128e+06 2.046773e+06 4.999141e+06 1.241436e+06 1.647523e+06 1.557188e+06 2.053495e+06 1.909955e+06 2.248251e+06 6.556700e+06 2.024079e+06 3.272898e+06 1.271167e+06 5.131876e+06 5.699695e+05 3.227454e+06 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2.627659e+06 2.061708e+06 6.474602e+06 2.548997e+06 2.056091e+06 1.599806e+06 5.919331e+06 3.571344e+06 3.280629e+06 3.125100e+06 3.049145e+06 1.736501e+06 1.640088e+06 4.151787e+06 2.591006e+06 7.329031e+06 5.568325e+06 3.789871e+06 1.397647e+06 3.474780e+06 5.082415e+06 7.906634e+06 6.740305e+06 3.399746e+06 3.742657e+06 3.271482e+06 2.356962e+06 2.697143e+06 3.164437e+06 3.604894e+06 9.549813e+06 2.852554e+06 9.231226e+06 4.016079e+06 1.451973e+06 4.022941e+06 1.051540e+07 3.860271e+06 1.943574e+06 4.685039e+06 1.789246e+06 3.541373e+06 4.406581e+06 2.594351e+06 6.403485e+06 7.788708e+05 1.972794e+06 8.675523e+06 2.561846e+06 4.721391e+06 3.255654e+06 3.077982e+06 C7 H22 N5 O3 P_1.747 6.678744e+04 2.889196e+06 3.042758e+06 1.636719e+06 5.309154e+04 2.358647e+06 6.863195e+05 2.977894e+06 75993.15 2.172534e+06 2.859043e+06 2.697790e+06 62394.85 2.643722e+06 1.728706e+06 1.556784e+06 5.240344e+04 2.755656e+06 2.555820e+06 2.771861e+06 1.390952e+05 2.765198e+06 1.015466e+06 1.713369e+06 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3.032917e+06 3.155470e+06 4.871352e+06 2.371408e+06 2.434215e+06 3.669436e+06 1.614493e+06 3.008710e+06 2.310173e+06 3.041083e+06 3.689979e+06 9.476039e+05 2.272229e+06 2.977996e+06 2.255704e+06 1.912821e+06 5.264088e+06 2.641566e+06 8.771509e+06 1.817893e+06 2.067018e+06 2.490906e+06 3.479088e+06 4.871626e+06 2.602967e+06 1.948983e+06 3.204957e+06 2.138015e+06 1.244709e+06 1.329436e+06 1.394724e+06 2.734347e+06 2.384257e+06 2.479719e+06 2.247689e+06 1.157987e+06 3.433414e+06 3.272071e+06 3.901549e+06 4.271471e+06 3.098978e+06 1.582699e+06 9.479664e+05 2.299257e+06 2.155291e+06 4.698343e+06 3.385265e+06 4.057888e+06 3.857687e+06 2.915766e+06 2.747152e+06 1.697042e+06 1.892468e+06 4.265943e+06 2.723979e+06 2.873802e+06 1.276731e+06 2.829633e+06 3.470720e+06 2.470108e+06 2.675026e+06 3.077361e+06 2.425792e+06 2.492113e+06 3.193747e+06 4.378340e+06 2.425297e+06 3.366240e+06 3.452882e+06 1.737017e+06 1.028320e+06 1.596135e+06 3.040334e+06 1.284803e+06 3.058892e+06 1.619480e+06 5.123708e+06 5.671082e+05 2.075032e+06 2.561956e+06 9.214138e+05 1.470611e+06 3.008269e+06 3.042517e+06 C12 H11 N8 O2 P_1.747 5.699237e+04 5.629001e+05 5.780557e+05 6.126920e+05 4.376831e+04 6.764459e+05 5.568057e+05 6.525324e+05 61295.39 6.726925e+05 6.500821e+05 7.088784e+05 55391.09 6.415108e+05 5.190101e+05 5.966875e+05 4.833808e+04 5.956653e+05 5.308823e+05 5.859160e+05 1.242481e+05 6.937776e+05 7.491615e+05 5.610494e+05 62961.770 6.077731e+05 6.236685e+05 6.732737e+05 6.119680e+04 5.642332e+05 5.448405e+05 5.800179e+05 81175.14 7.445484e+05 5.792595e+05 6.181157e+05 8.781871e+04 6.444531e+05 7.150433e+05 6.335064e+05 8.225072e+04 3.827001e+05 6.202641e+05 8.544599e+05 1.088629e+05 5.817463e+05 5.130772e+05 6.468638e+05 6.255307e+05 4.758442e+05 5.877130e+05 4.705050e+05 6.428410e+05 6.979055e+05 5.966721e+05 6.405618e+05 7.356171e+05 7.845167e+05 5.705165e+05 4.390714e+05 3.956885e+05 8.820535e+05 6.732824e+05 6.490261e+05 6.978384e+05 8.511444e+05 6.822169e+05 6.350982e+05 6.952708e+05 5.674265e+05 6.179169e+05 7.093449e+05 7.188209e+05 4.190091e+05 4.473617e+05 4.222208e+05 6.723044e+05 6.640485e+05 1.287311e+05 3.042831e+05 5.403983e+05 7.567133e+05 5.870276e+05 5.808508e+05 7.105759e+05 6.903056e+05 4.928960e+05 4.979040e+05 8.179489e+05 6.913716e+05 5.090677e+05 6.379204e+05 4.759409e+05 5.906093e+05 5.940937e+05 6.137276e+05 7.638489e+05 7.019250e+05 8.263170e+05 5.562106e+05 6.640472e+05 3.765923e+05 7.462196e+05 7.012607e+05 5.947189e+05 4.701440e+05 3.443494e+05 4.918378e+05 5.314480e+05 4.552139e+05 3.998682e+05 5.214571e+05 7.191704e+05 7.116411e+05 1.186452e+06 5.579112e+05 5.443678e+05 6.666014e+05 5.472516e+05 7.346167e+05 6.985521e+05 4.059302e+05 6.240303e+05 3.996830e+05 5.821163e+05 4.389374e+05 7.961885e+05 4.820796e+05 6.615863e+05 7.002538e+05 5.362796e+05 8.475317e+04 7.358653e+05 4.126443e+05 4.933915e+05 8.528116e+05 8.599914e+05 6.659956e+05 6.116487e+05 6.174597e+05 8.335855e+05 7.248899e+05 6.516750e+05 5.981535e+05 5.814320e+05 5.798307e+05 8.335858e+05 4.236800e+05 4.639876e+05 4.497408e+05 5.474575e+05 3.854494e+05 6.050279e+05 5.232032e+05 5.712981e+05 6.486723e+05 7.719711e+05 8.488678e+05 7.335889e+05 5.444095e+05 8.067105e+05 6.645973e+05 5.650552e+05 1.079055e+06 5.345836e+05 6.620560e+05 8.654220e+05 5.852847e+05 6.127849e+05 1.011539e+06 8.806250e+05 5.988831e+05 7.992980e+05 6.411369e+05 7.750712e+05 6.222700e+05 6.026995e+05 8.174836e+05 6.676360e+05 6.515650e+05 5.782517e+05 7.324920e+05 6.354237e+05 5.060282e+05 5.311870e+05 7.957329e+05 9.225118e+05 6.100767e+05 4.448779e+05 6.037232e+05 6.825562e+05 5.950124e+05 6.849244e+05 5.262670e+05 4.829135e+05 9.134597e+05 6.094656e+05 6.207177e+05 5.481380e+05 1.210389e+06 5.035585e+05 5.306524e+05 7.807842e+05 5.800614e+05 7.423390e+05 6.452008e+05 5.414278e+05 5.095797e+05 5.926874e+05 6.809360e+05 6.593617e+05 5.722737e+05 6.914094e+05 4.893863e+05 7.762112e+05 6.592600e+05 5.206360e+05 3.553121e+05 7.357460e+05 5.356441e+05 6.871126e+05 5.293668e+05 4.990266e+05 9.519277e+05 4.417003e+05 6.873880e+05 5.422945e+05 6.813415e+05 7.259511e+05 5.216902e+05 4.888594e+05 7.278144e+05 6.889499e+05 7.613077e+05 5.142531e+05 6.457753e+05 8.027640e+05 5.764113e+05 6.770732e+05 7.615405e+05 5.547966e+05 6.247280e+05 7.222325e+05 5.048110e+05 6.073742e+05 8.887164e+05 6.642294e+05 5.548341e+05 6.260755e+05 5.413876e+05 4.606441e+05 4.431159e+05 1.126490e+06 5.658405e+05 5.554618e+05 6.691182e+05 1.367681e+06 7.094073e+05 5.929081e+05 6.569025e+05 3.619592e+05 1.080490e+06 "[3-(3,4-methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]alanine_1.747" 1.203749e+05 5.241400e+06 6.056278e+06 6.164633e+06 8.957496e+04 6.252361e+06 6.022986e+06 7.984029e+06 111015.06 5.571314e+06 5.698766e+06 5.097874e+06 86215.54 7.154217e+06 6.569029e+06 5.706692e+06 5.659079e+04 5.061707e+06 5.435943e+06 5.130111e+06 1.180134e+05 9.672066e+06 6.346676e+06 5.922539e+06 60526.091 4.570582e+06 6.844333e+06 7.860740e+06 5.507454e+04 4.549371e+06 4.050091e+06 4.887862e+06 55807.13 8.182522e+06 4.522208e+06 4.218802e+06 4.704105e+04 1.160071e+07 4.988654e+06 4.108391e+06 5.054214e+04 8.923007e+06 4.651025e+06 5.329532e+06 9.724804e+04 5.754123e+06 6.352770e+06 6.774433e+06 6.275906e+06 5.323247e+06 3.520054e+06 4.296600e+06 5.763789e+06 5.324794e+06 6.370450e+06 4.265268e+06 4.980400e+06 6.357188e+06 2.577680e+06 7.162056e+06 3.910091e+06 7.948501e+06 5.941417e+06 4.333214e+06 3.582379e+06 3.828622e+06 5.487481e+06 4.977716e+06 4.953026e+06 5.874342e+06 5.811251e+06 4.277279e+06 6.587823e+06 5.946174e+06 7.388299e+06 7.515024e+06 4.207484e+06 6.391727e+06 1.528547e+05 4.326540e+06 6.419479e+06 5.089830e+06 5.347915e+06 5.966677e+06 3.722316e+06 5.999227e+06 6.658858e+06 1.476758e+07 5.725445e+06 5.438844e+06 5.022901e+06 6.529711e+06 6.725986e+06 5.837402e+06 6.442320e+06 5.251576e+06 4.596785e+06 5.033111e+06 4.637129e+06 6.564749e+06 6.236675e+06 4.271156e+06 6.875728e+06 4.847639e+06 5.368590e+06 4.915426e+06 4.454804e+06 4.656252e+06 1.516358e+07 4.088097e+06 3.976692e+06 7.833425e+06 7.578765e+06 4.168596e+06 6.735308e+06 8.431144e+06 6.160518e+06 6.258670e+06 3.345520e+06 5.751989e+06 4.126869e+06 4.054274e+06 8.639383e+06 3.594987e+06 4.895790e+06 4.468117e+06 5.610043e+06 7.259302e+06 6.397158e+06 4.972017e+06 5.812053e+06 1.487682e+05 6.761458e+06 5.034284e+06 6.453960e+06 7.104070e+06 7.411245e+06 8.741112e+06 6.781983e+06 6.133230e+06 3.934703e+06 6.168525e+06 7.426986e+06 1.386415e+07 6.871017e+06 5.372677e+06 6.419680e+06 4.797881e+06 5.546907e+06 4.518854e+06 5.704176e+06 6.109078e+06 6.739175e+06 6.077669e+06 6.878940e+06 7.402928e+06 4.224476e+06 5.975668e+06 5.538443e+06 5.297512e+06 5.034685e+06 3.974845e+06 5.202075e+06 7.632724e+06 4.296966e+06 6.027320e+06 4.527613e+06 4.424727e+06 4.712723e+06 4.731451e+06 7.222615e+06 7.066286e+06 4.616133e+06 6.043574e+06 6.346057e+06 5.513610e+06 4.565288e+06 4.277781e+06 4.853633e+06 5.708832e+06 4.531880e+06 1.097712e+07 5.525627e+06 5.111467e+06 4.442599e+06 4.432102e+06 6.407963e+06 7.669951e+06 4.883378e+06 3.951125e+06 4.290107e+06 5.686126e+06 6.065362e+06 4.663518e+06 3.402540e+06 6.875632e+06 3.607149e+06 4.950152e+06 6.282292e+06 4.444528e+06 5.397853e+06 4.680575e+06 5.798165e+06 6.090688e+06 7.807740e+06 7.601070e+06 7.270697e+06 6.506903e+06 5.383494e+06 6.285316e+06 5.832872e+06 6.650367e+06 4.982624e+06 4.106175e+06 7.663944e+06 3.956885e+06 4.959605e+06 5.058587e+06 6.318395e+06 5.929442e+06 5.493341e+06 4.852469e+06 5.745209e+06 4.863630e+06 6.671389e+06 6.230904e+06 4.811827e+06 4.298975e+06 5.394374e+06 6.509725e+06 6.611642e+06 4.903257e+06 4.039429e+06 5.526155e+06 8.350342e+06 3.982343e+06 7.460905e+06 4.271557e+06 6.174197e+06 7.119559e+06 4.794941e+06 5.177468e+06 8.869368e+06 8.670405e+06 6.157142e+06 7.087896e+06 6.064589e+06 3.547001e+06 4.424862e+06 4.946286e+06 5.416059e+06 5.252633e+06 5.708005e+06 5.167241e+06 5.817289e+06 5.074322e+06 5.927010e+06 8.698978e+06 8.228529e+06 4.323994e+06 4.041484e+06 5.433468e+06 2-Methyl-5-propionylfuran_1.747 1.986393e+06 5.911308e+07 5.195683e+07 5.926049e+07 8.979765e+05 5.674600e+07 5.519656e+07 7.025218e+07 1381048.91 5.232424e+07 5.933616e+07 6.203523e+07 432535.95 5.624792e+07 5.314474e+07 5.904640e+07 4.769699e+06 5.540635e+07 5.817340e+07 5.680121e+07 2.514980e+06 5.544169e+07 5.695403e+07 6.996813e+07 846915.210 5.265991e+07 5.615057e+07 6.414557e+07 1.842509e+07 4.805622e+07 7.040081e+07 8.184760e+07 20300780.65 6.986005e+06 7.418533e+07 7.069088e+07 4.334800e+06 2.927893e+07 6.955133e+07 7.069704e+07 1.939408e+07 6.797077e+07 3.126508e+07 9.226303e+07 3.210381e+05 1.312991e+07 7.208693e+07 5.891042e+07 7.215681e+07 7.194990e+07 5.956353e+07 1.312601e+08 8.535522e+07 3.793993e+07 8.320380e+07 9.312700e+07 9.040770e+07 8.457485e+07 1.104844e+08 7.701554e+07 1.164754e+08 8.958944e+07 8.881266e+07 1.202717e+08 4.870086e+07 6.276031e+07 6.386701e+07 1.069259e+08 8.995563e+07 8.286348e+07 1.180453e+08 9.790433e+07 1.443839e+08 1.012695e+08 2.792300e+07 5.787376e+07 5.177528e+07 6.204389e+07 3.004222e+07 5.223950e+07 5.437214e+07 5.669802e+07 5.484551e+07 5.869319e+07 4.906945e+07 6.765635e+07 1.101338e+07 3.561862e+07 4.963382e+07 5.490542e+07 7.743961e+07 5.046218e+07 7.056055e+07 4.404241e+07 8.009943e+07 6.056039e+07 7.744182e+07 4.760640e+07 6.329255e+07 5.468476e+07 5.417701e+07 5.346396e+07 3.412531e+07 6.874713e+07 8.674655e+07 6.692424e+07 5.719924e+07 5.720559e+07 1.803513e+07 3.928064e+07 6.192647e+07 7.658497e+07 5.615853e+07 2.137749e+07 5.778229e+07 3.992982e+07 5.537874e+07 5.834406e+07 5.246536e+07 3.488515e+07 4.338746e+07 1.608046e+07 4.379958e+07 4.768923e+07 5.393501e+07 4.570149e+07 6.171129e+07 3.778876e+07 4.939663e+07 4.398260e+07 4.201424e+07 6.745539e+06 6.270451e+07 4.967168e+07 4.528065e+07 2.407530e+07 6.827415e+07 5.587895e+07 4.544333e+07 5.595561e+07 1.224625e+07 7.057673e+07 6.042144e+07 3.469987e+07 4.642076e+07 6.085743e+07 6.855219e+07 5.724656e+07 6.390523e+07 9.191336e+07 5.348956e+07 8.010855e+07 4.503213e+07 5.367898e+07 4.451757e+07 4.929655e+07 7.625795e+07 7.791901e+07 7.965795e+07 4.999513e+07 2.602656e+07 7.250662e+07 5.665367e+07 7.851077e+07 9.183303e+07 5.752158e+07 6.876622e+07 7.855909e+07 3.468049e+07 6.496697e+07 7.041612e+07 6.033315e+07 8.420852e+07 6.471056e+07 1.051864e+08 7.432475e+07 1.151748e+08 1.153250e+08 9.904784e+07 1.020271e+08 3.218547e+07 6.232549e+07 4.683600e+07 4.880379e+07 5.497750e+07 6.880017e+07 5.220290e+07 4.720084e+07 4.566053e+07 2.371509e+07 2.230939e+07 6.170968e+07 2.534535e+07 6.301329e+07 5.298115e+07 4.501757e+07 6.467848e+07 5.696950e+07 5.068205e+07 5.561514e+07 5.116534e+07 5.276702e+07 2.820050e+07 5.177320e+07 5.483860e+07 4.952346e+07 6.542162e+07 4.451776e+07 6.717597e+07 6.383609e+07 2.171013e+07 5.121144e+07 4.637532e+07 5.870093e+07 8.119463e+07 6.581252e+07 1.771371e+07 2.523669e+07 6.602604e+07 5.796464e+07 5.808456e+07 5.338383e+07 4.233630e+07 8.475882e+07 6.174538e+07 7.173998e+07 6.770063e+07 1.787771e+07 6.480077e+07 5.582045e+07 5.491343e+07 9.115409e+07 2.906345e+07 5.327517e+07 2.526359e+07 5.374399e+07 5.040925e+07 5.816628e+07 6.433979e+07 5.023615e+07 6.851167e+07 5.289354e+07 5.848146e+07 7.078489e+07 4.820173e+07 7.320102e+07 6.087048e+07 6.269156e+07 5.073405e+07 7.060011e+07 6.262622e+07 5.452880e+07 5.609268e+07 4.728068e+07 8.073210e+07 3.961302e+07 4.380347e+07 5.779531e+07 4.515452e+07 8.010639e+07 6.217141e+07 5.935831e+07 519.18441_1.747 1.461119e+05 4.216098e+06 4.588514e+06 4.150646e+06 1.038484e+05 5.022697e+06 5.070275e+06 5.569669e+06 112021.06 4.525928e+06 4.130643e+06 5.013682e+06 84789.65 5.238214e+06 4.831794e+06 5.489508e+06 6.157542e+04 3.704143e+06 3.898322e+06 4.041173e+06 1.445999e+05 6.654073e+06 4.784680e+06 4.694139e+06 68492.152 3.146323e+06 6.392593e+06 5.969797e+06 5.901812e+04 3.193923e+06 4.196206e+06 4.668592e+06 71318.60 5.242284e+06 4.272601e+06 3.687925e+06 6.736654e+04 6.025427e+06 4.487773e+06 3.895218e+06 6.188547e+04 6.823997e+06 4.854715e+06 4.523745e+06 1.152760e+05 3.366927e+06 5.676023e+06 4.374063e+06 5.333043e+06 3.905272e+06 1.765220e+06 3.792168e+06 3.581886e+06 4.516268e+06 5.146043e+06 4.596336e+06 4.858189e+06 4.991202e+06 2.916327e+06 4.026302e+06 4.483229e+06 5.037628e+06 5.390588e+06 5.240633e+06 4.821849e+06 4.608160e+06 4.397440e+06 4.232816e+06 5.316994e+06 4.955915e+06 5.402383e+06 4.782536e+06 6.751195e+06 5.974693e+06 3.928863e+06 3.955898e+06 4.190216e+06 6.062864e+06 9.135262e+04 6.503388e+06 4.886282e+06 4.434333e+06 4.102654e+06 7.364890e+06 4.117705e+06 4.872791e+06 3.387025e+06 4.834508e+06 5.817700e+06 6.332630e+06 3.861637e+06 5.441313e+06 4.367511e+06 4.127297e+06 5.742563e+06 4.306514e+06 5.100414e+06 4.022407e+06 4.085021e+06 3.761647e+06 3.922687e+06 2.938509e+06 5.514265e+06 4.989411e+06 4.756163e+06 4.428469e+06 4.036006e+06 3.394228e+06 4.230427e+06 3.189363e+06 3.486281e+06 4.763591e+06 5.443025e+06 3.367644e+06 5.592488e+06 6.461551e+06 3.969460e+06 5.211549e+06 3.297503e+06 5.280116e+06 2.999285e+06 1.534495e+06 3.504921e+06 2.642288e+06 4.560984e+06 3.634044e+06 5.834492e+06 5.114428e+06 3.927850e+06 4.383061e+06 3.736074e+06 6.666810e+04 3.796366e+06 4.241782e+06 5.293117e+06 6.651464e+06 5.423951e+06 5.408857e+06 4.622110e+06 4.987528e+06 4.078140e+06 6.959217e+06 4.027322e+06 4.594596e+06 5.823475e+06 4.103359e+06 4.783552e+06 3.153090e+06 3.995458e+06 5.893895e+06 4.035903e+06 4.953107e+06 4.408265e+06 3.777569e+06 4.723302e+06 5.050735e+06 5.798979e+06 7.153325e+06 6.196518e+06 3.717415e+06 5.438597e+06 3.659742e+06 3.866410e+06 5.449210e+06 3.027763e+06 4.148039e+06 3.883821e+06 4.084453e+06 4.043207e+06 5.222516e+06 4.617155e+06 5.838659e+06 4.310740e+06 4.815610e+06 7.029596e+06 4.706874e+06 3.481529e+06 4.268741e+06 4.342783e+06 4.364224e+06 3.575029e+06 6.297650e+06 4.600595e+06 3.855718e+06 5.264482e+06 5.583577e+06 4.960941e+06 4.858712e+06 3.648981e+06 2.612138e+06 5.069225e+06 4.779595e+06 6.222143e+06 4.516168e+06 3.472958e+06 5.337769e+06 4.502610e+06 4.551835e+06 3.635844e+06 5.196218e+06 4.600685e+06 5.218019e+06 5.861343e+06 5.385431e+06 8.392601e+06 6.005125e+06 4.803294e+06 5.077262e+06 5.913889e+06 6.954836e+06 4.795689e+06 4.703929e+06 5.514206e+06 4.124523e+06 7.346649e+06 4.965912e+06 5.147526e+06 3.395591e+06 5.950131e+06 7.139872e+06 5.719473e+06 3.940512e+06 3.477776e+06 4.333945e+06 5.364655e+06 6.090065e+06 4.641634e+06 4.019115e+06 5.738349e+06 5.250041e+06 6.919892e+06 5.086071e+06 6.225195e+06 4.654708e+06 6.133543e+06 4.181370e+06 6.117156e+06 3.975907e+06 4.794960e+06 7.414164e+06 5.638652e+06 5.279808e+06 6.634149e+06 5.671267e+06 6.964804e+06 6.038580e+06 6.308715e+06 4.188887e+06 4.441049e+06 4.468201e+06 3.536609e+06 3.371978e+06 5.228283e+06 4.966122e+06 6.541029e+06 3.517092e+06 5.777858e+06 3.764224e+06 3.745462e+06 4.203667e+06 4.048328e+06 5.307176e+06 AZELATE 1.317312e+05 5.175741e+05 6.507253e+05 6.483861e+05 9.662121e+04 1.428491e+06 7.266395e+05 9.038800e+05 135237.87 6.913742e+05 6.832352e+05 7.147826e+05 115368.53 6.988840e+05 1.132279e+06 6.894301e+05 1.791097e+06 8.086228e+05 8.741121e+05 5.291225e+05 2.097420e+05 6.756776e+05 9.065630e+05 1.111678e+06 96823.234 6.216306e+05 7.002621e+05 9.604720e+05 7.630647e+04 5.565415e+05 9.906286e+05 7.689360e+05 128873.01 4.479682e+05 9.730021e+05 9.547442e+05 1.466952e+05 8.011720e+05 4.417870e+05 5.835900e+05 1.544790e+05 6.019377e+05 7.918147e+05 1.061268e+06 2.152197e+05 1.001817e+06 9.490940e+05 5.527912e+05 6.997475e+05 1.950239e+06 3.579397e+05 5.000317e+05 7.718036e+05 3.670657e+05 3.510623e+05 5.772750e+05 7.602470e+05 6.873802e+05 4.610394e+05 3.692157e+05 8.576270e+05 8.155501e+05 4.453686e+05 6.802375e+05 1.387932e+06 3.651731e+05 8.447363e+05 6.309290e+05 1.401681e+06 3.279542e+05 6.221443e+05 1.608878e+06 6.664465e+05 9.442022e+05 8.474676e+05 3.855232e+05 7.609806e+05 5.471846e+05 4.196235e+07 6.756586e+05 2.090856e+05 5.808684e+05 2.707494e+05 7.591792e+05 6.761693e+05 7.622332e+05 9.947961e+05 5.302576e+05 5.158514e+05 5.774036e+05 4.566964e+05 1.024804e+06 7.692413e+05 5.749039e+05 8.452826e+05 2.219379e+06 8.296487e+05 6.797398e+05 9.467508e+05 7.103173e+05 5.935581e+05 6.198879e+05 2.429966e+05 6.463945e+05 7.865685e+05 5.734184e+05 6.811938e+05 5.604269e+05 4.156703e+05 2.882684e+05 4.939779e+05 9.230356e+05 2.978850e+06 7.529463e+05 1.351073e+06 4.860627e+05 1.069391e+06 4.150405e+05 4.794456e+05 1.200772e+06 5.656707e+05 5.124856e+05 3.612306e+05 1.113797e+06 9.940735e+05 3.632005e+05 2.505983e+06 3.714673e+05 4.198213e+05 4.362904e+05 1.209009e+06 7.662555e+06 5.820719e+05 4.926662e+05 4.308091e+05 9.145734e+05 6.088769e+05 9.025201e+05 1.943655e+06 7.098703e+05 7.398298e+05 7.072222e+05 7.011099e+05 7.858596e+05 8.889326e+05 9.611688e+05 6.955784e+05 8.419780e+05 3.775318e+05 1.310019e+06 1.771560e+06 7.255557e+05 6.055757e+05 6.584705e+05 6.515001e+05 6.953434e+05 6.673357e+05 1.896870e+06 8.987645e+05 6.349753e+05 9.748953e+05 8.356705e+05 5.978787e+05 7.050918e+05 8.241188e+05 4.122748e+05 6.573762e+05 8.663860e+05 7.856323e+05 9.254308e+05 7.369409e+05 7.387831e+05 7.957575e+05 6.991991e+05 9.643609e+05 7.395424e+05 5.601981e+05 6.255498e+05 5.254482e+05 3.383520e+05 1.274000e+06 3.821235e+05 5.970545e+05 8.308227e+05 6.794852e+05 8.816597e+05 6.955259e+05 4.013782e+05 2.991606e+06 6.899229e+05 6.130936e+05 5.483572e+05 3.800824e+05 7.896787e+05 1.307082e+06 6.013078e+05 1.119596e+06 6.391595e+05 4.400687e+05 8.331647e+05 6.788421e+05 9.934844e+05 6.831032e+05 1.777647e+06 6.012812e+05 7.385291e+05 6.089051e+05 2.677894e+05 9.386273e+05 6.749460e+05 4.900264e+05 5.668789e+05 5.032527e+05 6.797674e+05 6.547775e+05 5.157639e+05 6.501767e+05 7.754995e+05 1.105457e+06 1.202446e+06 7.387379e+05 6.994640e+05 4.620649e+05 7.736538e+05 9.514540e+05 1.332748e+06 1.153092e+06 8.940384e+05 7.422867e+05 7.812352e+05 5.019786e+05 8.918529e+05 8.249356e+05 4.985863e+05 5.782226e+05 4.352166e+05 3.879337e+05 5.075266e+05 1.088144e+06 7.545706e+05 1.276692e+06 4.633387e+05 7.936146e+05 5.843735e+05 6.377746e+05 5.439317e+05 6.990179e+05 2.816184e+05 5.987228e+05 7.030456e+05 8.440437e+05 7.506556e+05 1.362710e+06 7.677951e+05 6.577781e+05 7.521355e+05 6.447031e+05 8.946255e+05 3.649590e+05 5.700955e+05 8.004514e+05 7.323760e+05 Indole-3-carboxilic acid-O-sulphate (1)_1.747 1.662695e+05 2.512964e+06 1.654987e+06 2.145988e+06 1.225796e+05 3.871732e+06 2.605935e+06 2.135940e+06 146745.30 2.876787e+06 2.502647e+06 2.896381e+06 109882.24 2.346065e+06 3.929551e+06 1.572610e+06 7.802123e+04 1.854126e+06 1.783607e+06 2.014358e+06 1.616826e+05 4.742977e+06 2.588223e+06 2.263980e+06 74208.470 1.950379e+06 3.474143e+06 3.362845e+06 6.806134e+04 1.073083e+06 1.639985e+06 6.454953e+06 76471.76 4.279749e+06 1.873664e+06 1.774974e+06 8.125194e+04 3.071909e+06 2.835787e+06 2.486514e+06 6.999223e+04 2.839768e+06 1.857813e+06 2.022088e+06 1.119329e+05 4.108416e+06 3.298079e+06 1.080485e+06 8.848631e+05 2.301800e+06 2.608520e+06 4.604378e+06 6.338461e+05 6.172075e+06 3.617555e+06 5.537656e+06 2.996376e+06 3.157895e+06 5.196484e+06 5.741392e+06 1.689592e+06 2.090928e+06 3.539848e+06 2.850548e+06 3.151666e+06 2.356523e+06 1.379307e+06 1.896438e+06 2.443463e+06 3.932474e+06 1.897947e+06 5.450966e+06 1.416514e+06 2.547478e+06 1.504450e+06 1.992705e+06 2.470918e+06 4.242995e+06 1.171581e+05 1.277635e+06 6.577921e+06 2.753875e+06 2.390773e+06 3.088423e+06 2.439278e+06 7.576000e+05 1.599573e+06 3.861510e+06 2.760210e+06 2.710489e+06 5.711704e+05 2.147892e+06 2.214122e+06 2.663466e+06 8.811772e+05 2.288869e+06 2.427415e+06 1.164905e+07 2.639553e+06 9.611237e+05 9.323373e+05 3.349328e+06 3.421459e+06 3.540124e+06 4.739049e+05 3.618656e+06 2.108646e+06 1.533559e+06 4.607932e+06 1.459536e+06 1.866987e+06 2.027429e+06 3.876939e+06 1.944597e+06 2.097157e+06 3.246766e+06 5.761191e+06 2.769333e+06 1.830847e+06 2.413429e+06 2.309456e+06 8.117191e+05 2.896567e+06 1.313570e+06 7.472155e+05 8.441918e+05 2.639248e+06 2.803930e+06 1.342153e+06 2.315866e+06 3.295622e+06 7.394977e+04 3.671469e+06 7.197240e+06 2.890842e+06 6.221009e+05 3.021222e+06 3.472005e+06 3.985392e+06 7.667465e+06 1.961999e+06 2.712200e+06 2.853411e+06 2.278314e+06 3.225688e+06 1.240147e+06 1.701140e+06 9.846129e+05 1.702314e+06 1.985233e+06 1.833490e+06 1.005657e+06 2.205727e+06 1.675229e+06 2.280824e+06 2.851055e+06 1.919998e+06 7.268315e+05 7.297519e+06 1.941932e+06 2.155960e+06 1.992158e+06 1.791132e+06 1.958432e+06 6.483404e+05 1.622986e+06 2.169565e+06 1.649199e+06 1.467717e+06 3.058416e+06 1.271435e+06 2.989066e+06 1.549606e+06 2.821149e+06 2.195663e+06 2.027152e+06 1.837210e+06 2.970955e+06 6.860916e+06 2.444431e+06 1.951180e+06 2.711547e+06 2.237837e+06 1.620983e+06 2.544019e+06 2.275082e+06 1.918165e+06 5.194361e+06 1.083716e+06 1.340704e+06 1.368415e+06 2.758346e+06 3.479714e+06 5.812254e+06 1.016470e+06 2.611170e+06 2.084701e+06 1.197482e+06 6.872473e+05 1.996487e+06 5.952412e+06 2.453420e+06 3.784138e+06 2.073182e+06 2.584407e+06 1.001409e+07 2.183084e+06 2.509244e+06 2.128260e+06 3.016718e+06 3.579905e+06 1.946758e+06 2.912728e+06 1.826841e+06 3.277745e+06 1.802262e+06 1.146513e+06 1.633844e+06 2.921096e+06 9.532103e+06 2.424500e+06 1.770938e+06 2.920251e+06 1.725391e+06 1.863602e+06 1.947789e+06 1.543180e+06 1.826558e+06 2.494137e+06 2.093143e+06 2.179856e+06 6.894729e+06 6.361990e+06 1.936021e+06 2.599136e+06 9.795354e+06 2.643629e+06 2.246901e+06 2.562400e+06 2.873165e+06 1.484218e+06 1.737047e+06 4.112479e+06 2.615418e+06 3.157296e+06 2.808532e+06 2.645150e+06 5.246620e+06 2.219148e+06 2.721109e+06 2.358716e+06 1.202682e+06 2.491813e+06 2.544740e+06 7.822022e+06 1.438722e+06 3.243739e+06 1.098210e+06 2.488759e+06 1.355724e+06 1.478653e+06 1.714260e+06 "5,8,12-Trihydroxy-2-oxododecanoic acid_1.747" 4.059603e+05 2.884271e+07 2.784630e+07 2.599699e+07 2.334975e+05 2.554721e+07 2.572460e+07 3.315389e+07 350630.99 2.664564e+07 2.938772e+07 2.789087e+07 313212.88 2.782748e+07 2.373824e+07 2.866294e+07 2.627542e+05 2.798684e+07 2.720572e+07 2.724685e+07 5.942386e+05 2.659268e+07 2.729576e+07 3.057006e+07 266308.290 2.637160e+07 3.028903e+07 2.814735e+07 2.482770e+05 2.418385e+07 2.837219e+07 3.149504e+07 349016.14 2.178114e+07 3.072655e+07 2.892400e+07 4.142787e+05 2.243409e+07 2.829696e+07 2.883521e+07 3.773062e+05 2.460327e+07 3.016719e+07 3.769717e+07 5.789325e+05 1.855746e+07 3.472913e+07 1.972410e+07 2.003458e+07 1.302331e+07 1.209035e+07 2.243503e+07 1.957579e+07 1.869080e+07 1.687745e+07 1.990838e+07 1.743374e+07 2.165349e+07 2.019910e+07 1.840607e+07 3.027986e+07 1.845455e+07 2.031836e+07 1.646364e+07 1.797368e+07 1.344953e+07 2.370957e+07 2.229647e+07 2.139433e+07 2.167076e+07 2.903092e+07 3.404659e+07 4.200790e+07 2.312688e+07 1.643320e+07 2.060210e+07 1.864078e+07 2.457917e+07 2.079948e+07 1.833508e+07 1.915839e+07 1.794050e+07 8.673214e+06 1.350814e+07 1.408075e+07 2.329447e+07 1.420746e+07 9.129811e+06 1.427637e+07 2.061618e+07 1.935323e+07 1.904596e+07 1.930311e+07 1.885550e+07 1.516555e+07 1.688940e+07 2.146710e+07 1.650269e+07 2.643377e+07 2.182845e+07 1.884792e+07 1.818181e+07 1.336251e+07 2.083964e+07 1.668022e+07 1.955153e+07 1.512372e+07 2.207665e+07 5.048006e+06 8.964739e+06 1.284562e+07 2.441814e+07 2.736260e+07 1.004333e+07 2.285944e+07 1.501297e+07 1.808019e+07 1.842771e+07 1.252710e+07 1.598977e+07 8.855735e+06 8.847002e+06 1.071213e+07 7.469711e+07 1.257543e+07 1.488353e+07 2.150038e+07 1.445548e+07 1.598190e+07 1.428189e+07 1.659615e+07 1.589383e+06 1.540146e+07 1.398304e+07 1.354667e+07 1.496568e+07 2.883444e+07 2.008583e+07 1.500522e+07 1.492860e+07 6.647369e+06 4.058175e+07 1.968390e+07 7.380431e+06 1.290614e+07 1.737255e+07 9.291215e+06 1.522586e+07 1.429618e+08 1.970525e+07 1.465749e+07 1.851718e+07 1.384657e+07 2.176172e+07 1.875262e+07 2.505972e+07 2.118350e+07 1.966253e+07 2.242028e+07 2.901498e+07 2.224673e+07 2.259687e+07 1.343470e+07 2.446224e+07 1.299774e+07 1.583789e+07 1.178504e+07 1.584317e+07 1.250904e+07 1.633627e+07 2.085390e+07 1.712303e+07 1.131167e+07 1.493602e+07 2.725080e+07 2.233436e+07 1.987032e+07 2.092410e+07 1.850029e+07 3.324481e+07 7.446961e+07 9.356785e+07 3.161809e+07 5.874093e+07 3.640087e+07 3.883494e+07 3.551111e+07 2.785568e+07 6.926761e+07 1.516696e+07 6.568697e+07 4.115457e+07 3.457724e+07 3.403065e+07 1.128953e+08 3.173035e+07 8.715069e+07 7.101790e+07 3.027164e+07 7.113397e+07 6.442351e+07 6.540047e+07 1.762339e+07 3.311637e+07 4.119966e+07 2.980144e+07 3.883768e+07 2.572736e+07 4.655522e+07 4.190214e+07 2.613574e+07 3.033848e+07 2.754203e+07 3.476532e+07 4.520515e+07 4.115117e+07 9.227137e+07 3.819594e+07 5.273296e+07 4.175527e+07 4.531493e+07 3.170552e+07 2.391079e+07 4.418546e+07 4.766880e+07 6.233238e+07 3.394938e+07 7.972890e+07 4.132156e+07 3.699457e+07 3.753918e+07 4.457359e+07 3.809936e+07 3.871164e+07 3.385053e+07 2.988497e+07 3.264717e+07 3.355489e+07 3.470128e+07 2.010068e+07 2.587449e+07 1.971374e+07 2.280596e+07 2.614575e+07 1.529159e+07 1.602614e+07 1.681305e+07 1.207348e+07 1.509965e+07 2.337324e+07 1.833570e+07 2.319586e+07 2.498656e+07 1.686318e+07 3.292763e+07 1.049955e+07 1.183731e+07 1.966588e+07 9.397170e+07 2.372916e+08 1.649967e+07 2.402389e+07 C11 H28 N8 O P2 S_1.748 3.500077e+04 1.773074e+06 1.816752e+06 9.474631e+05 2.958877e+04 1.308177e+06 1.682430e+06 1.297265e+06 68943.41 1.839840e+06 1.483830e+06 2.209856e+06 87195.36 5.303967e+05 1.191397e+06 2.374298e+06 8.171546e+04 9.900490e+05 1.943662e+06 1.370263e+06 2.162532e+05 6.966939e+05 1.858486e+06 1.779160e+06 79621.022 8.239283e+05 2.240280e+06 2.036568e+06 6.100427e+04 4.947114e+05 1.627650e+06 2.154123e+06 77073.07 5.963022e+05 2.160958e+06 1.730503e+06 9.115298e+04 6.116182e+05 2.456352e+06 9.683848e+05 9.584301e+04 5.148874e+05 2.018385e+06 2.780988e+06 1.266187e+05 6.143673e+05 1.471724e+06 1.401049e+06 1.910838e+06 8.940658e+05 4.776747e+05 1.554094e+06 1.167267e+06 1.522874e+06 1.102260e+06 8.430139e+05 1.018041e+06 1.907644e+06 7.806975e+05 1.979845e+06 1.206470e+06 1.279833e+06 1.594435e+06 1.508482e+06 1.329681e+06 1.345092e+06 1.438276e+06 6.432163e+05 1.342043e+06 1.442557e+06 3.243497e+06 1.182285e+06 1.959111e+06 3.080081e+06 6.103302e+05 2.127833e+06 9.458746e+05 2.931972e+06 1.156042e+05 2.253612e+06 2.101102e+06 2.553793e+06 7.919729e+05 2.502456e+06 1.952884e+06 1.072542e+06 6.696997e+05 8.063881e+05 1.970377e+06 1.353360e+06 1.019327e+06 2.255451e+06 6.936892e+05 1.876676e+06 2.652387e+06 2.302528e+06 2.593260e+06 1.347815e+06 2.052146e+06 7.048276e+05 5.858632e+05 7.142350e+05 7.472466e+05 1.349683e+06 6.520329e+05 1.898225e+06 8.778253e+05 8.784132e+05 4.995484e+05 2.091524e+06 7.983997e+05 8.567996e+05 9.448859e+05 1.043840e+06 4.648180e+06 1.187737e+06 2.534514e+06 1.765357e+06 5.464229e+05 6.495929e+05 6.897176e+05 5.005293e+05 6.526358e+05 3.269363e+05 9.209026e+05 1.489654e+06 2.259410e+06 9.739416e+05 1.638132e+06 3.003028e+06 7.340682e+05 8.565209e+04 1.734090e+06 1.542011e+06 1.862365e+06 1.281840e+06 1.688090e+06 6.659789e+05 9.628158e+05 1.885382e+06 4.483931e+05 1.529993e+06 2.547671e+06 9.888926e+05 2.107154e+06 8.464949e+05 1.172426e+06 9.384646e+05 8.277941e+05 2.551644e+06 1.965331e+06 1.356596e+06 8.180904e+05 7.660971e+05 8.332744e+05 1.722166e+06 1.531398e+06 3.234028e+06 1.828552e+06 5.025701e+05 1.474731e+06 1.441925e+06 1.127319e+06 2.278543e+06 5.891074e+05 6.830318e+05 2.163557e+06 7.286546e+05 8.154408e+05 1.109476e+06 2.328317e+06 1.047269e+06 6.989613e+05 8.943221e+05 2.140784e+06 2.836766e+06 5.362972e+05 1.535973e+06 9.777405e+05 1.179644e+06 2.547094e+06 8.010359e+05 2.244703e+06 2.931208e+06 2.630505e+06 1.395806e+06 9.664020e+05 1.865405e+06 3.348699e+06 9.541408e+05 2.055787e+06 2.722099e+06 1.040775e+06 1.884917e+06 1.169244e+06 1.397938e+06 2.985934e+06 4.518650e+06 7.379906e+05 5.364000e+06 5.822442e+06 4.711180e+06 1.318819e+06 2.279838e+06 1.963470e+06 2.864538e+06 9.282062e+05 4.705710e+05 2.333951e+06 2.164749e+06 1.931738e+06 6.696378e+05 1.547078e+06 1.558865e+06 2.647625e+06 2.042611e+06 3.844643e+06 1.062172e+06 3.620390e+06 2.350484e+06 2.738346e+06 9.585097e+05 7.065439e+05 2.600770e+06 3.099681e+06 2.384606e+06 1.140937e+06 1.818802e+06 1.680186e+06 2.166893e+06 2.506435e+06 1.259772e+06 1.951591e+06 2.852273e+06 1.629593e+06 2.041743e+06 1.226088e+06 1.726682e+06 1.529268e+06 8.278586e+05 9.407214e+05 2.100121e+06 2.931365e+06 1.114940e+06 2.964914e+06 1.780893e+06 1.338240e+06 2.747346e+06 2.203473e+06 1.993636e+06 4.373815e+06 6.026188e+05 4.256969e+06 1.211659e+06 2.951204e+06 7.260706e+05 2.019084e+06 1.881424e+06 3.978158e+05 9.839768e+05 2.479498e+06 2.617338e+06 C25 H22 N6 O4_1.748 5.181110e+04 1.257409e+05 2.448090e+05 3.450435e+05 3.989171e+04 2.520645e+05 2.331736e+05 4.931824e+05 60254.45 1.292743e+05 2.339601e+05 2.758963e+05 62985.67 3.362862e+05 1.453309e+05 3.278357e+05 5.307573e+04 2.598586e+05 1.372967e+05 2.617491e+05 1.116939e+05 1.245887e+05 3.384495e+05 3.181734e+05 48167.412 1.832498e+05 2.674194e+05 2.871635e+05 4.777986e+04 1.527136e+05 3.134937e+05 2.494140e+05 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9.882230e+04 1.015315e+05 1.517649e+05 1.397340e+05 1.552096e+05 1.204912e+05 1.488468e+05 1.641963e+05 2.118943e+05 1.162554e+05 2.341757e+05 1.761089e+05 1.138469e+05 2.143727e+05 1.741998e+05 2.148499e+05 1.867005e+05 3.214546e+05 1.769664e+05 2.242799e+05 1.387208e+05 8.872355e+04 1.579293e+05 2.186272e+05 1.408560e+05 1.080471e+05 1.029483e+05 1.441618e+05 1.428054e+05 1.413682e+05 2.087105e+05 1.388576e+05 5.470408e+05 4.935459e+05 1.231349e+05 1.080915e+05 1.164733e+05 1.608961e+05 1.322000e+05 1.995999e+05 1.780164e+05 1.732681e+05 1.513693e+05 1.043908e+05 1.295040e+05 1.650936e+05 1.837860e+05 1.440183e+05 1.912116e+05 1.491510e+05 1.186947e+05 1.440982e+05 1.386703e+05 1.215834e+05 1.998184e+05 2.313466e+05 2.280797e+05 1.228717e+05 2.080760e+05 2.194146e+05 2.268245e+05 1.748481e+05 1.227345e+05 1.753714e+05 2.366228e+05 1.636108e+05 1.288568e+05 9.657618e+04 2.302607e+05 3.775437e+05 9.447987e+04 2.141014e+05 1.135327e+05 1.612902e+05 2.197856e+05 1.722879e+05 C20 H43 N O8_1.748 6.793871e+04 2.341770e+06 2.456375e+06 1.221742e+06 5.467490e+04 2.051445e+06 1.975314e+06 1.647520e+06 89590.59 2.224498e+06 2.172607e+06 2.153074e+06 74856.79 2.019803e+06 1.833834e+06 2.268732e+06 5.441098e+04 1.933050e+06 1.857295e+06 2.367673e+06 1.282019e+05 1.626197e+06 1.914191e+06 2.118606e+06 57250.167 2.028615e+06 2.276647e+06 2.213633e+06 5.134126e+04 1.356658e+06 2.396271e+06 2.049158e+06 71308.70 1.767241e+06 2.204414e+06 1.539992e+06 8.615713e+04 2.081207e+06 2.862813e+06 2.266810e+06 9.598558e+04 1.301048e+06 9.628614e+05 3.120671e+06 1.507695e+05 1.594182e+06 2.795770e+06 1.440584e+06 2.017675e+06 2.196787e+06 3.420685e+05 8.575739e+05 3.713782e+05 1.525230e+06 6.050830e+05 1.076936e+06 7.310217e+05 6.119226e+05 4.275418e+05 2.262089e+06 1.554091e+06 1.282281e+06 9.264571e+05 8.982879e+05 8.115651e+05 3.018849e+06 2.294671e+06 2.681142e+05 6.141438e+05 4.997473e+05 7.903915e+05 6.470092e+05 1.246774e+06 7.241296e+05 1.503052e+06 1.530598e+06 1.772610e+06 2.495333e+06 8.127748e+04 2.801014e+06 2.747972e+06 2.527293e+06 1.103424e+06 2.184864e+06 1.605112e+06 3.011064e+06 8.120582e+05 6.663277e+05 1.226486e+06 2.083851e+06 2.365130e+06 2.497448e+06 1.566326e+06 9.194401e+05 3.864778e+06 1.604056e+06 1.979985e+06 2.857605e+06 6.730938e+05 8.444309e+05 9.575465e+05 6.505868e+05 1.557416e+06 1.037319e+06 8.316041e+05 1.883427e+06 5.001191e+05 1.611604e+06 5.409294e+05 5.530140e+05 1.767111e+06 2.485203e+06 2.007731e+06 1.838350e+06 2.995969e+06 8.889963e+05 3.645814e+06 2.427362e+06 7.455973e+05 2.370331e+06 1.043827e+06 6.689076e+05 1.117936e+06 2.308618e+06 2.923005e+06 2.217162e+06 4.564336e+06 1.579099e+06 1.134143e+06 2.334829e+06 1.897883e+06 1.481399e+05 2.077330e+06 2.117743e+06 2.187914e+06 2.426012e+06 3.320602e+06 2.761496e+06 1.669386e+06 2.472441e+06 4.727120e+05 3.261053e+06 3.248115e+06 3.327805e+05 5.993723e+05 4.683334e+05 6.265085e+05 2.089133e+05 5.868294e+05 6.976123e+05 4.896233e+05 6.712077e+05 5.283125e+05 1.479982e+06 1.340514e+06 9.213216e+05 2.654343e+06 3.815640e+06 3.564357e+06 2.508317e+06 1.396325e+06 2.157361e+06 7.552470e+05 3.205517e+06 2.219096e+06 1.697783e+06 1.095884e+06 1.683650e+06 1.933119e+06 1.423264e+06 2.114728e+06 1.449230e+06 2.312723e+06 1.518905e+06 3.923899e+06 2.196991e+06 4.744616e+05 7.182275e+05 7.809066e+05 5.629167e+05 6.611542e+05 1.292089e+06 1.681417e+06 1.058804e+06 2.010857e+06 2.528073e+06 1.646986e+06 1.738498e+06 7.470057e+05 1.241492e+06 9.495271e+05 1.065300e+06 8.673481e+05 3.160166e+06 3.096104e+06 2.405349e+06 2.435920e+06 1.134272e+06 6.928709e+05 1.069751e+06 2.502937e+06 2.163455e+06 1.579370e+06 1.729496e+06 1.838010e+06 6.935873e+05 1.676349e+06 8.340548e+05 2.995247e+06 2.335463e+06 8.235286e+05 1.654911e+06 1.869687e+06 1.865517e+06 4.555779e+06 1.331653e+06 4.406607e+06 3.455551e+06 1.768002e+06 3.366628e+06 2.725849e+06 1.739337e+06 7.164023e+05 4.079591e+06 3.324609e+06 4.969588e+06 3.680057e+06 5.443567e+06 3.384075e+06 1.955671e+06 2.840711e+06 3.098607e+06 1.211004e+06 2.903784e+06 2.282477e+06 9.390429e+05 9.157028e+05 1.120326e+06 2.165376e+06 2.023498e+06 2.443397e+06 5.120050e+06 5.717044e+06 7.685031e+06 2.072410e+06 3.586103e+06 6.168167e+06 4.464083e+06 4.334714e+06 6.851571e+06 5.397458e+06 5.723090e+05 6.318832e+06 1.735350e+06 1.143917e+07 6.916933e+05 7.516482e+05 6.392088e+05 5.572616e+05 5.260179e+06 3.989516e+06 4.876809e+06 C35 H36 Cl N O3 S_1.748 7.572387e+04 3.010961e+05 5.514463e+05 3.063394e+05 5.913253e+04 3.365343e+05 3.057468e+05 3.550187e+05 83753.84 2.963250e+05 5.108953e+05 4.910988e+05 71658.97 3.112563e+05 3.923495e+05 3.790710e+05 1.091446e+05 2.508166e+05 3.027155e+05 3.822026e+05 1.949827e+05 3.683698e+05 3.492346e+05 4.043464e+05 77014.666 3.468534e+05 3.760145e+05 5.357082e+05 6.282577e+04 3.063120e+05 3.141273e+05 4.400674e+05 87385.61 2.225973e+05 4.611898e+05 3.146632e+05 1.002997e+05 3.464640e+05 3.800310e+05 3.980056e+05 8.585324e+04 1.913772e+05 3.893142e+05 4.069383e+05 1.381223e+05 1.919493e+05 3.242279e+05 3.573860e+05 2.420642e+05 1.297782e+05 2.191562e+05 1.897206e+05 1.624832e+05 1.683015e+05 1.905678e+05 2.951573e+05 2.145373e+05 2.257484e+05 1.940050e+05 1.399026e+05 2.068592e+05 2.331960e+05 1.765492e+05 1.895668e+05 2.062926e+05 1.857368e+05 2.286010e+05 1.915526e+05 2.000207e+05 2.016667e+05 1.982817e+05 2.314336e+05 2.893314e+05 3.308904e+05 1.671925e+05 1.479399e+05 2.114305e+05 2.543770e+05 9.300214e+04 3.143078e+07 1.268298e+05 2.059813e+05 1.343221e+05 1.714302e+05 1.697714e+05 1.769643e+05 1.723548e+05 1.190011e+05 1.921358e+05 1.894768e+05 3.841484e+06 1.290318e+05 1.728062e+05 1.115805e+05 2.322884e+05 1.923675e+05 2.096347e+05 1.457696e+05 1.720594e+05 1.407185e+05 9.184411e+05 1.395082e+05 1.508223e+05 1.589688e+05 1.676730e+05 1.945837e+05 1.654867e+05 1.481973e+05 1.197359e+05 1.417614e+05 1.475525e+05 2.110200e+05 1.850794e+05 1.442508e+05 1.559977e+05 1.296988e+05 2.071828e+05 1.671376e+05 1.363713e+05 1.823835e+05 1.638514e+05 1.251376e+05 1.397019e+05 1.326627e+05 1.549163e+05 1.605630e+05 1.779700e+05 2.458258e+05 1.105940e+05 1.265104e+05 1.471522e+05 9.035613e+04 2.045180e+05 1.647625e+05 1.216595e+05 2.257463e+05 2.210141e+05 1.281155e+06 1.521924e+05 1.131091e+07 1.612689e+05 2.078205e+05 1.734266e+05 1.410295e+05 1.435559e+05 1.738724e+05 7.024386e+06 1.535735e+05 1.516052e+05 2.019349e+05 3.454048e+06 1.888301e+05 1.884576e+05 1.477085e+05 1.667312e+05 1.439780e+05 2.326191e+05 1.932146e+05 2.747081e+05 1.296976e+05 1.871075e+05 1.722926e+05 1.766131e+05 2.154565e+05 1.692458e+05 1.332643e+05 1.583531e+05 1.659631e+05 2.015074e+06 1.586876e+05 1.618458e+05 2.025760e+05 1.522334e+05 1.659739e+05 2.544281e+05 1.207889e+05 2.119910e+07 1.950152e+05 2.119673e+05 2.045568e+05 2.389920e+05 2.427722e+05 1.851385e+05 1.831236e+05 1.832055e+05 3.673713e+07 1.465579e+05 2.310472e+05 7.481462e+05 1.676091e+05 2.098280e+05 1.509085e+05 3.324057e+06 1.909472e+05 2.466248e+05 1.486567e+05 3.207149e+05 2.351183e+05 1.481085e+05 3.051005e+05 2.040029e+05 3.730073e+05 2.174047e+05 1.283251e+05 1.559535e+06 1.569150e+05 1.680923e+05 1.856765e+07 2.745121e+05 1.957319e+05 1.685131e+05 1.790030e+05 1.603537e+05 1.870567e+05 5.603686e+06 2.217572e+05 3.142130e+05 1.724495e+05 2.476874e+05 2.279773e+05 6.829892e+06 1.283636e+05 2.104578e+07 2.176831e+05 2.307071e+05 2.388703e+05 1.412226e+06 1.287130e+06 6.793546e+06 1.567214e+05 2.235797e+05 4.738756e+06 2.289237e+05 2.303905e+05 1.943656e+05 1.739310e+05 1.776490e+05 1.952944e+05 1.503902e+05 1.641601e+05 1.186774e+07 1.680008e+05 5.955566e+06 1.837739e+05 1.710857e+05 8.832798e+06 8.728056e+06 1.913365e+05 1.825869e+05 2.041054e+05 1.517201e+05 1.611159e+05 1.665348e+05 1.387381e+05 2.204463e+05 1.506752e+05 1.395707e+05 1.199591e+07 1.425280e+05 1.867548e+05 1.978762e+05 2.187492e+05 Bilirubin_1.749 1.751567e+07 7.372369e+06 5.397733e+06 5.304028e+06 1.180231e+05 4.304461e+06 2.575423e+06 4.987833e+06 178408.94 6.093775e+06 5.511535e+06 5.457911e+06 133569.35 6.309438e+06 4.278903e+06 5.218842e+06 9.707145e+04 5.906934e+06 5.604739e+06 5.157588e+06 2.613332e+05 5.342714e+06 5.844218e+06 1.931812e+06 138489.195 6.316521e+06 6.044271e+06 5.858111e+06 1.138021e+05 4.712296e+06 6.074643e+06 5.555924e+06 152284.70 4.846027e+06 5.931330e+06 3.553594e+06 1.793247e+05 4.841885e+06 5.863861e+06 5.348745e+06 1.628841e+05 5.403941e+06 5.689031e+06 8.098098e+06 2.711001e+05 2.881107e+06 4.467298e+06 5.469580e+06 4.615376e+06 5.007052e+06 5.187278e+06 4.079027e+06 2.292841e+06 2.024498e+06 8.333495e+06 8.054363e+06 2.381973e+06 4.309992e+06 1.530942e+06 4.591104e+06 2.273922e+07 1.824870e+07 6.572189e+06 5.209727e+06 1.298884e+07 4.171140e+06 1.790539e+06 2.004909e+07 5.810505e+06 1.252713e+07 1.936382e+07 1.737656e+07 1.252047e+07 6.718223e+06 5.092021e+06 6.246777e+06 7.157002e+06 5.315804e+06 2.919063e+07 9.833337e+06 5.868340e+06 3.676136e+06 3.890611e+06 4.272013e+06 1.951051e+07 3.347372e+06 3.583071e+06 8.753777e+05 6.582883e+06 1.046333e+07 6.254014e+06 4.652912e+06 1.831672e+06 4.294944e+06 2.930223e+06 5.463610e+06 1.320271e+06 2.561546e+07 3.375668e+06 9.223921e+06 1.311015e+06 3.209792e+06 2.345226e+07 2.133107e+06 6.315499e+06 6.744959e+06 4.809258e+06 4.436520e+06 3.404712e+07 5.834021e+06 2.829982e+06 2.144573e+06 2.225154e+06 7.270125e+06 2.399834e+06 7.138119e+06 9.481928e+06 2.950531e+06 5.115918e+06 2.824121e+07 4.801556e+06 3.060392e+06 1.321207e+06 2.695158e+06 2.493216e+06 3.557404e+06 4.919843e+06 4.805573e+06 4.740286e+06 9.357620e+06 1.069108e+07 1.407405e+06 1.360343e+07 1.651051e+07 1.231751e+07 3.280304e+06 1.567541e+07 4.376361e+06 3.882821e+06 2.498713e+07 2.938218e+06 6.718101e+06 4.390259e+06 6.529756e+06 5.443749e+06 2.453699e+06 1.178119e+06 2.154828e+06 4.759520e+06 3.487154e+06 4.277360e+06 2.091086e+06 7.843379e+05 8.761686e+06 4.849869e+06 5.045006e+06 6.127872e+06 3.917445e+06 6.720390e+06 1.164831e+07 2.431964e+06 1.136820e+07 4.308254e+06 4.034850e+06 1.734213e+06 1.995506e+07 2.000333e+07 6.613865e+06 2.086094e+06 6.383360e+06 1.203610e+07 1.003753e+07 8.986961e+06 8.704541e+06 7.546948e+06 1.457453e+06 6.025476e+06 3.375431e+06 4.450168e+06 3.134140e+06 1.800680e+06 3.675488e+06 1.861338e+06 6.625410e+05 8.131147e+06 2.874785e+06 8.636350e+06 2.053210e+06 9.528880e+06 5.835408e+06 8.120048e+06 3.343303e+06 1.586520e+06 1.597823e+06 1.022023e+07 4.976212e+06 6.559309e+06 3.653421e+06 3.843719e+06 9.542715e+06 2.256692e+06 2.867993e+06 5.459407e+06 9.577598e+06 4.461915e+06 2.629492e+06 6.885551e+06 4.354710e+06 1.566028e+07 2.869344e+06 2.334294e+07 4.355699e+06 7.131906e+06 3.913857e+06 8.093915e+06 3.895605e+06 5.481292e+06 3.822648e+06 2.072517e+06 2.037703e+07 6.240160e+06 2.998935e+06 3.792295e+06 3.546980e+06 3.411498e+06 6.758583e+06 1.799508e+06 4.805799e+06 2.704917e+06 3.395445e+06 8.611626e+06 1.039790e+07 5.556742e+06 3.792176e+06 6.752151e+06 3.221068e+06 4.783633e+06 1.733939e+07 4.204372e+06 1.427737e+07 1.060753e+07 2.276949e+07 4.406904e+06 1.332351e+07 4.921329e+06 1.745836e+07 7.897663e+06 1.206197e+07 5.743031e+06 1.324078e+06 5.826790e+06 1.629781e+07 6.491781e+06 5.512180e+06 1.958932e+07 4.139631e+07 1.731398e+07 1.489639e+07 1.923066e+06 2.016985e+06 1.409592e+07 1.846600e+07 C13 H31 N4 O7 P_1.749 1.263022e+05 8.707364e+05 9.693907e+05 7.654447e+05 9.725810e+04 5.685486e+05 6.561925e+05 1.502851e+06 135413.13 4.999847e+05 5.973421e+05 1.070804e+06 123803.25 9.839228e+05 5.558745e+05 9.335503e+05 1.499319e+05 7.435498e+05 6.597981e+05 8.290690e+05 3.021768e+05 7.941171e+05 8.654284e+05 8.895935e+05 135400.352 7.716291e+05 1.000740e+06 1.002540e+06 1.241082e+05 4.201426e+05 8.842901e+05 1.016607e+06 172532.67 7.257761e+05 8.332084e+05 9.927952e+05 1.979471e+05 5.451566e+05 7.203114e+05 9.175919e+05 1.586786e+05 7.153611e+05 7.219020e+05 1.351731e+06 1.970184e+05 6.406515e+05 7.948018e+05 7.236217e+05 6.200779e+05 4.688020e+05 5.488485e+05 6.904200e+05 4.568828e+05 1.107601e+06 8.950105e+05 6.344602e+05 6.905558e+05 8.213053e+05 9.446830e+05 7.032193e+05 1.516138e+06 1.312769e+06 8.595544e+05 1.003387e+06 8.236147e+05 4.178500e+05 1.139049e+06 9.190514e+05 7.140952e+05 7.908029e+05 7.966946e+05 8.471741e+05 1.278354e+06 9.268183e+05 6.253323e+05 5.708710e+05 8.841056e+05 1.215181e+06 3.167470e+06 1.455478e+06 6.949876e+05 7.741028e+05 4.006272e+05 5.123406e+05 5.064541e+05 5.094159e+05 4.113589e+05 2.049993e+05 6.390055e+05 8.161149e+05 8.202353e+05 4.559697e+05 7.368818e+05 5.933181e+05 8.050368e+05 5.280375e+05 9.236474e+05 8.260360e+05 4.452695e+05 1.028562e+06 8.423330e+05 5.388504e+05 6.273015e+05 7.694206e+05 8.368550e+05 9.499644e+05 3.302621e+05 7.181983e+05 2.611440e+05 4.620209e+05 3.624502e+05 1.082047e+06 1.541633e+06 5.561956e+05 9.332503e+05 5.855688e+05 8.880356e+05 8.972994e+05 4.629283e+05 1.679559e+06 5.026815e+05 2.336231e+05 3.246659e+05 1.838683e+06 7.168963e+05 1.283172e+06 1.446538e+06 8.408555e+05 4.996490e+05 5.975964e+05 6.821195e+05 3.178122e+05 7.060407e+05 6.657009e+05 7.005497e+05 7.925087e+05 8.871950e+05 1.168214e+06 5.828500e+05 6.860652e+05 8.347159e+05 1.937721e+06 6.820039e+05 4.757621e+05 7.739444e+05 1.470929e+06 9.515102e+05 8.935300e+05 2.679506e+06 1.794656e+06 1.241233e+06 8.442712e+05 7.368196e+05 6.191208e+05 4.338366e+05 1.043104e+06 1.141718e+06 9.848424e+05 1.111015e+06 7.505100e+05 1.019507e+06 8.724254e+05 4.982639e+05 7.899054e+05 9.430629e+05 5.171056e+05 7.449219e+05 6.814297e+05 4.707482e+05 9.718224e+05 9.023593e+05 5.295713e+05 8.301978e+05 1.286934e+06 8.065369e+05 6.118294e+05 5.322113e+05 8.855208e+05 8.362832e+05 8.359081e+05 2.526796e+06 2.509719e+06 7.284488e+05 1.323921e+06 1.012866e+06 9.970447e+05 5.830380e+05 6.998206e+05 2.082787e+06 5.716489e+05 1.890811e+06 1.399111e+06 9.636980e+05 8.445042e+05 4.534274e+06 5.362834e+05 4.066205e+06 2.707823e+06 5.577438e+05 2.405324e+06 1.173118e+06 2.140280e+06 8.847761e+05 3.249811e+05 5.992613e+05 3.636571e+05 3.628594e+05 2.802284e+05 1.032663e+06 8.040491e+05 6.033245e+05 5.641030e+05 5.359158e+05 5.842791e+05 8.010933e+05 1.071638e+06 1.626113e+06 4.291948e+05 7.860571e+05 9.650910e+05 5.022263e+05 4.317118e+05 3.588835e+05 3.275344e+05 8.978305e+05 2.137393e+06 4.309627e+05 4.379091e+06 4.161220e+05 6.121140e+05 4.434755e+05 1.625184e+06 1.617727e+06 5.149226e+05 8.743803e+05 6.271198e+05 7.805234e+05 1.106526e+06 4.093496e+05 6.485972e+05 7.091376e+05 1.587181e+06 1.140756e+06 7.410410e+05 5.778712e+05 3.852236e+05 1.007521e+06 5.749047e+05 5.651521e+05 1.417792e+06 8.951504e+05 4.243569e+05 8.176975e+05 6.227215e+05 2.299373e+06 3.223506e+05 4.859936e+05 3.068953e+05 1.895090e+06 2.916961e+06 1.023901e+06 1.244539e+06 C18 H30 O5_1.749 1.771941e+05 6.094205e+05 6.829716e+05 5.754468e+05 6.176623e+04 5.228112e+05 4.148515e+05 9.084641e+05 100936.37 5.408927e+05 5.353983e+05 8.122125e+05 96996.04 5.291039e+05 4.953869e+05 5.181470e+05 1.255587e+05 5.986434e+05 3.977766e+05 8.448085e+05 1.709091e+05 4.278577e+05 8.414523e+05 6.912700e+05 77076.484 4.571983e+05 5.841011e+05 6.014274e+05 7.925142e+04 5.160821e+05 5.275618e+05 6.989412e+05 103674.12 4.954209e+05 8.341111e+05 6.538805e+05 1.214916e+05 3.332962e+05 5.778421e+05 6.964667e+05 1.026148e+05 5.306402e+05 7.351089e+05 6.936209e+05 1.459278e+05 3.791894e+05 7.005406e+05 5.463837e+05 1.123451e+06 2.374345e+06 2.133983e+05 4.962504e+05 1.906173e+05 3.802132e+05 5.336459e+05 4.233393e+05 4.040794e+05 3.300046e+05 2.608938e+05 1.200525e+06 4.022868e+05 5.424070e+05 5.625975e+05 5.661897e+05 2.519567e+05 1.864125e+05 2.209056e+06 2.243723e+05 2.169931e+05 3.272747e+05 2.686805e+05 4.579006e+05 3.497413e+05 5.356288e+05 8.315969e+05 1.786491e+05 5.016206e+05 6.660082e+05 2.145431e+05 5.364405e+05 2.163671e+05 4.571431e+05 5.348787e+05 4.063103e+05 5.835937e+05 2.179571e+05 5.529530e+05 1.913894e+05 3.594698e+05 3.159815e+05 7.902189e+05 2.704869e+05 5.524944e+05 6.008309e+05 1.840188e+06 6.774745e+05 5.526611e+05 4.029746e+05 3.423243e+05 8.289256e+05 7.324216e+05 9.945360e+05 3.550717e+05 4.706554e+05 8.938835e+05 4.829693e+05 1.948609e+05 9.542043e+05 1.877421e+05 4.597856e+05 5.520675e+05 1.076316e+06 7.315251e+05 6.992126e+05 7.312110e+05 2.836211e+05 2.998972e+05 3.822889e+05 1.648193e+05 1.146754e+06 5.137862e+05 5.627835e+05 4.295546e+05 1.956850e+05 4.551558e+05 1.970810e+05 2.490872e+06 1.397052e+06 6.856823e+05 5.480974e+05 5.697356e+05 1.139925e+05 8.476431e+05 1.142910e+06 9.173464e+05 9.965675e+05 2.034399e+06 2.808662e+06 2.303071e+05 9.137150e+05 4.803141e+05 2.640886e+06 2.426557e+06 6.261635e+05 5.594304e+05 9.206753e+05 4.962385e+05 7.028799e+05 6.572156e+05 1.211391e+06 3.946439e+05 1.225514e+06 6.838090e+05 4.566937e+05 1.598592e+05 1.660614e+05 2.788193e+05 6.107919e+05 5.844388e+05 2.706726e+05 3.413228e+05 6.257928e+05 1.935645e+06 3.436564e+05 7.533518e+05 3.031984e+05 8.085908e+05 3.138219e+05 1.974631e+05 4.377122e+05 4.093807e+05 5.625900e+05 5.779201e+05 2.715358e+05 6.140345e+05 1.885972e+05 3.923423e+05 2.390203e+05 4.017992e+05 3.296374e+05 1.532348e+06 7.713077e+05 6.489081e+05 5.437395e+06 4.226239e+05 7.151399e+05 7.262343e+05 5.542997e+05 2.319784e+06 3.163394e+05 1.038651e+07 7.723229e+05 4.396762e+05 6.279462e+05 2.078990e+06 7.133283e+05 3.758264e+06 7.124564e+06 7.646686e+05 2.676314e+06 4.432191e+06 4.829427e+06 7.433068e+05 7.887710e+05 8.599329e+05 5.512112e+05 3.938201e+05 3.075491e+05 1.295556e+06 1.062679e+06 3.752360e+05 4.680824e+05 5.377663e+05 5.442939e+05 4.188112e+05 5.850944e+05 4.863103e+06 5.346277e+05 8.467361e+05 4.175856e+05 9.931356e+05 3.841324e+05 4.517240e+05 5.540640e+05 1.039569e+06 2.387193e+06 5.390707e+05 1.029952e+06 1.218546e+06 5.433385e+05 5.956709e+05 6.443934e+05 5.469362e+05 2.790785e+06 7.736830e+05 1.107025e+06 7.771967e+05 5.814668e+05 1.134994e+06 1.927685e+05 7.631117e+05 3.591038e+05 2.819763e+05 2.821023e+05 2.289728e+05 3.231371e+05 5.417965e+05 4.859594e+05 4.691779e+05 9.497740e+05 5.347055e+05 5.838556e+05 4.694826e+05 4.861407e+05 1.410141e+06 1.668624e+05 2.691353e+05 5.275216e+05 2.785062e+05 4.016652e+05 4.816027e+05 5.610685e+05 "(3Z,5Z)-6-(3,4-Dihydroxyphenyl)-4-hydroxy-3,5-hexadien-2-one_1.749" 8.867915e+04 7.420621e+06 1.008847e+07 8.714560e+06 6.739623e+04 8.524127e+06 8.302011e+06 1.179428e+07 90603.75 8.110074e+06 9.080323e+06 9.268543e+06 78306.33 9.136970e+06 7.722202e+06 9.524969e+06 9.514667e+04 8.772057e+06 8.868200e+06 8.889881e+06 1.429568e+05 7.892815e+06 8.942836e+06 1.141979e+07 65471.277 8.055121e+06 9.359186e+06 9.174131e+06 6.413889e+04 8.067249e+06 8.510333e+06 1.077463e+07 92306.47 6.643545e+06 1.027090e+07 8.989497e+06 1.018471e+05 7.417809e+06 9.354760e+06 9.480296e+06 8.967932e+04 7.340235e+06 9.749773e+06 1.308884e+07 1.350174e+05 6.189587e+06 1.082547e+07 6.191209e+06 7.838801e+06 8.359366e+06 2.648186e+06 8.996236e+06 4.412849e+06 7.740629e+06 6.791809e+06 1.075238e+07 7.273339e+06 8.073349e+06 7.237538e+06 8.845806e+06 1.152397e+07 5.215974e+06 8.341070e+06 5.775331e+06 6.024977e+06 8.017014e+06 1.849523e+07 6.910542e+06 7.035726e+06 7.123264e+06 1.263378e+07 9.389582e+06 1.404923e+07 1.122387e+07 6.788161e+06 8.285252e+06 7.494835e+06 9.238084e+06 8.872067e+04 9.920118e+06 8.560564e+06 5.489170e+06 6.279373e+06 9.402588e+06 6.070774e+06 8.326183e+06 4.746239e+06 3.728422e+06 7.487629e+06 7.927464e+06 1.719670e+07 8.918479e+06 1.343178e+07 1.078930e+07 1.608631e+07 1.348163e+07 1.612658e+07 7.029365e+06 1.233644e+07 1.161112e+07 1.045779e+07 1.299290e+07 5.747616e+06 1.345066e+07 1.371080e+07 1.367917e+07 9.253431e+06 1.196046e+07 4.099722e+06 7.381108e+06 8.031810e+06 1.940755e+07 1.507171e+07 8.100690e+06 1.174121e+07 6.516696e+06 1.261991e+07 1.038572e+07 6.544742e+06 9.919416e+06 3.776551e+06 4.612709e+06 4.343699e+06 8.437837e+06 7.448999e+06 5.501021e+06 1.640799e+07 1.165813e+07 7.770702e+06 9.939164e+06 9.839956e+06 9.865755e+04 7.163639e+06 1.066249e+07 1.183176e+07 1.181247e+07 1.520451e+07 1.486208e+07 9.833622e+06 1.253957e+07 3.867453e+06 1.775162e+07 1.769146e+07 5.351731e+06 9.298371e+06 1.085238e+07 9.730916e+06 1.007400e+07 1.197117e+07 1.603478e+07 1.362908e+07 1.343791e+07 5.571664e+06 1.076982e+07 9.037813e+06 1.264058e+07 1.946110e+07 2.498070e+07 2.488870e+07 1.334731e+07 1.323839e+07 1.686938e+07 7.564819e+06 7.722164e+06 9.559641e+06 6.001239e+06 5.861499e+06 5.446436e+06 4.965891e+06 7.150286e+06 7.423452e+06 5.949761e+06 5.620100e+06 5.822445e+06 1.159929e+07 1.090947e+07 7.987226e+06 5.667360e+06 9.951486e+06 1.009046e+07 3.171001e+07 5.072486e+06 4.660811e+06 2.440560e+07 5.597087e+06 6.120611e+06 6.055608e+06 3.484960e+06 2.521514e+07 1.982474e+06 2.243821e+07 9.890790e+06 5.350409e+06 7.117958e+06 2.151637e+07 5.163146e+06 2.795730e+07 2.602523e+07 3.939966e+06 2.722882e+07 2.615393e+07 2.916820e+07 4.388244e+06 3.906009e+06 4.666699e+06 4.309001e+06 6.052020e+06 3.728341e+06 7.715698e+06 6.818951e+06 4.585469e+06 3.770135e+06 4.536309e+06 3.650567e+06 9.221277e+06 6.419384e+06 2.867340e+07 5.807130e+06 7.846220e+06 6.094541e+06 6.095158e+06 4.709664e+06 3.696651e+06 6.942212e+06 7.934802e+06 1.283599e+07 7.516844e+06 7.114775e+06 7.465482e+06 5.959292e+06 6.957402e+06 6.932192e+06 7.933248e+06 6.932895e+06 6.950728e+06 7.436656e+06 8.503485e+06 7.283207e+06 7.184788e+06 6.481925e+06 1.557138e+07 8.961563e+06 1.228671e+07 1.357846e+07 8.932247e+06 1.112754e+07 1.416605e+07 8.199189e+06 9.234695e+06 1.795672e+07 1.223429e+07 7.613723e+06 1.218265e+07 4.606780e+06 2.357767e+07 5.526669e+06 6.429054e+06 6.507836e+06 4.004951e+06 1.039531e+07 1.054129e+07 1.296191e+07 C4 H14 N5 O2 P_1.75 2.827495e+06 1.040948e+06 1.115989e+06 9.807308e+05 1.226036e+05 9.240286e+05 7.498060e+05 1.290092e+06 183876.42 9.548408e+05 9.974557e+05 1.123873e+06 154913.38 9.285488e+05 1.006174e+06 8.908241e+05 1.589578e+05 1.150819e+06 9.897053e+05 9.717892e+05 2.907543e+05 8.158287e+05 1.095679e+06 1.353133e+06 132920.681 8.085098e+05 1.076785e+06 1.058619e+06 1.283407e+05 7.139266e+05 9.818840e+05 1.039998e+06 169230.67 1.191722e+06 1.019350e+06 9.790686e+05 2.019760e+05 9.167837e+05 8.953015e+05 1.252975e+06 1.768974e+05 7.607322e+05 1.099440e+06 1.205908e+06 2.451761e+05 8.754130e+05 1.078967e+06 9.004437e+05 4.823766e+05 7.678163e+05 3.166274e+06 1.293965e+06 4.932099e+05 1.614613e+06 7.516608e+05 6.515662e+06 3.469746e+06 3.730045e+06 1.543470e+06 7.770099e+06 6.430373e+06 3.823649e+06 9.623739e+05 1.431107e+06 2.311927e+06 1.225992e+06 7.578947e+05 3.774199e+06 5.631290e+05 7.810329e+05 3.466713e+06 4.439779e+06 1.556980e+06 5.939013e+05 3.932109e+06 5.084071e+05 3.530100e+05 6.516898e+05 5.988106e+06 1.594537e+06 8.494654e+05 9.841616e+05 4.313890e+05 5.454182e+05 5.626925e+05 1.926836e+06 2.926143e+05 1.217665e+06 5.588898e+05 6.544190e+05 1.175742e+06 7.000606e+05 4.850622e+06 4.169938e+05 8.385821e+05 3.641066e+06 6.083235e+05 2.659843e+06 1.281554e+06 4.026506e+05 2.298477e+06 9.735842e+05 3.356429e+05 5.330430e+05 6.044016e+05 6.181517e+05 2.011892e+06 1.020696e+06 2.329657e+05 4.321268e+05 8.220236e+05 1.249830e+06 3.970538e+06 1.972068e+06 3.134909e+06 7.118127e+05 8.540358e+06 5.427233e+05 1.676176e+06 8.284684e+05 8.729286e+05 7.543623e+05 1.389813e+06 2.704361e+05 8.516202e+05 3.656955e+05 1.271058e+06 1.391134e+06 6.395470e+05 5.003982e+05 2.036530e+06 2.450462e+05 7.556263e+05 5.189319e+05 8.077573e+05 1.277879e+06 8.995929e+05 4.623601e+06 3.232348e+05 5.911699e+05 9.782944e+05 9.164516e+05 2.219062e+06 1.501203e+06 6.330947e+05 7.190455e+05 4.127046e+05 3.308049e+05 3.816454e+05 5.665650e+05 7.755810e+05 9.053816e+05 6.761386e+05 4.815911e+06 3.737403e+05 5.894071e+05 8.608860e+06 7.401782e+05 1.127591e+06 4.097094e+05 7.363192e+05 1.059964e+06 9.831377e+05 9.474803e+05 5.239059e+06 1.077872e+06 1.130502e+06 1.162426e+06 2.377900e+06 1.324797e+06 8.733488e+05 6.194597e+05 2.616648e+06 5.443658e+05 6.901329e+05 3.830774e+05 6.176553e+05 5.659038e+05 9.001728e+05 5.132776e+05 5.062492e+05 1.546086e+06 1.302375e+06 1.553033e+06 3.596602e+06 1.662615e+06 1.095160e+06 1.334267e+06 1.203818e+06 6.683113e+05 8.384059e+05 3.478624e+05 5.527705e+05 1.094961e+06 7.366719e+05 8.687824e+06 2.267039e+06 2.008914e+06 5.208856e+05 5.167880e+05 3.614747e+06 1.030767e+06 8.919467e+06 2.594220e+06 1.869340e+06 6.019162e+05 8.204809e+05 1.169886e+06 7.510968e+05 6.746013e+05 5.927520e+05 4.373981e+05 2.077287e+06 9.201238e+05 4.172362e+05 4.642359e+05 5.932178e+05 1.399237e+06 7.463940e+05 1.655985e+06 8.030771e+05 1.379694e+06 1.108654e+06 1.205028e+06 1.004084e+06 8.381188e+05 8.268331e+05 8.317408e+05 2.610852e+06 5.606571e+05 3.485620e+06 5.691671e+05 1.413132e+06 2.020069e+06 7.303425e+05 7.018649e+05 5.758463e+05 9.198722e+06 8.163640e+06 5.465134e+05 6.333249e+06 1.002100e+06 8.504364e+05 9.793650e+05 4.935759e+05 1.364616e+06 4.195166e+06 7.961478e+05 1.097613e+06 6.127632e+05 6.074362e+06 2.164958e+06 4.782190e+05 6.620875e+06 3.038530e+06 2.906674e+06 5.480912e+05 1.026403e+06 3.659204e+05 8.678085e+05 1.167462e+06 3.781723e+05 8-Nonynoic acid_1.75 1.528060e+05 1.621954e+06 9.036258e+05 1.144802e+06 1.939773e+05 1.166177e+06 8.857726e+05 1.395448e+06 278660.51 1.119697e+06 1.291355e+06 1.355171e+06 192943.20 1.102670e+06 1.107159e+06 1.076381e+06 2.376938e+05 1.220463e+06 1.252961e+06 1.273458e+06 4.731631e+05 1.104956e+06 1.232991e+06 1.318794e+06 188363.387 1.006305e+06 1.028178e+06 1.418256e+06 1.680901e+05 1.191640e+06 1.023077e+06 1.510917e+06 222520.34 9.888068e+05 1.376788e+06 9.732127e+05 2.643415e+05 1.118663e+06 1.032665e+06 1.231850e+06 2.147774e+05 1.552874e+06 1.296966e+06 1.569063e+06 2.989539e+05 9.986950e+05 1.191229e+06 1.022027e+06 8.737426e+05 1.244802e+06 1.143647e+06 2.130081e+06 9.713993e+05 1.017757e+06 1.437009e+06 1.702295e+06 1.532306e+06 1.851981e+06 1.276927e+06 1.344218e+06 2.052960e+06 1.481641e+06 2.916610e+06 1.531963e+06 1.108007e+06 2.233548e+06 1.312280e+06 1.197273e+06 1.529967e+06 1.224138e+06 1.806015e+06 1.713256e+06 1.862417e+06 1.863470e+06 1.154418e+06 1.138865e+06 1.048186e+06 8.159643e+05 8.694022e+06 9.962668e+05 9.674117e+05 1.336859e+06 9.517348e+05 1.171924e+06 1.117533e+06 2.350995e+06 7.505943e+05 6.949616e+05 1.176448e+06 9.102722e+05 1.370119e+06 7.824086e+05 1.585263e+06 8.213278e+05 1.253716e+06 1.491102e+06 1.282693e+06 5.954701e+05 1.170021e+06 1.355006e+06 1.074602e+06 9.688256e+05 8.154939e+05 9.443080e+05 1.355074e+06 1.260206e+06 1.124209e+06 1.005569e+06 6.979088e+05 7.463021e+05 9.212339e+05 2.238019e+06 1.439361e+06 1.181867e+06 1.334822e+06 4.655014e+05 1.655457e+06 8.830037e+05 9.558275e+05 1.160278e+06 7.326943e+05 5.612467e+05 6.131663e+05 6.113342e+05 8.279227e+05 5.846688e+05 1.976894e+06 1.313269e+06 7.587950e+05 9.141797e+05 1.126234e+06 3.573493e+06 6.553566e+05 1.066117e+06 8.527451e+05 8.713365e+05 1.543337e+06 1.507170e+06 9.347985e+05 1.243625e+06 6.869503e+05 1.382683e+06 1.104328e+06 4.415964e+05 8.403697e+05 1.097682e+06 1.231140e+06 1.154300e+06 1.299871e+06 1.345353e+06 1.152424e+06 9.425161e+05 9.849897e+05 9.992828e+05 1.122713e+06 9.097855e+05 1.506389e+06 1.451564e+06 1.497673e+06 9.629263e+05 9.151194e+05 1.161632e+06 1.100361e+06 9.190679e+05 1.788790e+06 1.036407e+06 1.117566e+06 8.535185e+05 2.055137e+06 1.334589e+06 1.078918e+06 1.020288e+06 1.081096e+06 1.098774e+06 1.073548e+06 1.271492e+06 1.307722e+06 1.335295e+06 1.206261e+06 1.642490e+06 2.249170e+06 1.265331e+06 1.264675e+06 1.256610e+06 1.595806e+06 1.979926e+06 1.140117e+06 1.220776e+06 3.305224e+06 1.159478e+06 1.457499e+06 1.554093e+06 1.048087e+06 1.612655e+06 9.090047e+06 1.166349e+06 3.259630e+06 3.754125e+06 9.512374e+05 1.566902e+06 1.019244e+06 1.851771e+06 1.465066e+06 1.433002e+06 1.336338e+06 1.175238e+06 5.746546e+06 9.409254e+05 1.966727e+06 1.670313e+06 1.003170e+06 1.271531e+06 1.253019e+06 1.798386e+06 1.483441e+06 1.562999e+06 1.241204e+06 1.805613e+06 1.902243e+06 1.994254e+06 1.398948e+06 1.687780e+06 1.373849e+06 1.304338e+06 1.844904e+06 1.865754e+06 1.648146e+06 1.835888e+06 1.953764e+06 1.340030e+06 1.998656e+06 1.777397e+06 8.768272e+05 1.616096e+06 1.332791e+06 2.126589e+06 7.942419e+05 9.485923e+05 9.135972e+05 8.892567e+05 2.359141e+06 6.699344e+05 1.467801e+06 9.833398e+05 1.102993e+06 2.037348e+06 1.495618e+06 7.803275e+05 8.388843e+05 1.055152e+06 9.039474e+05 8.827512e+05 1.059494e+06 1.162900e+06 1.423572e+06 7.432316e+05 8.907172e+05 9.615593e+05 1.115351e+06 1.303755e+06 9.550946e+05 7.972689e+05 183.55325_1.751 9.077959e+04 1.290891e+06 1.466800e+06 1.378146e+06 6.804322e+04 1.391631e+06 1.675203e+06 1.552386e+06 87105.58 1.248702e+06 1.571620e+06 1.378773e+06 70028.71 1.652322e+06 1.440417e+06 1.481434e+06 5.025851e+04 1.069608e+06 1.347084e+06 1.460273e+06 1.077259e+05 1.743046e+06 1.296205e+06 1.897646e+06 50993.457 1.270276e+06 1.205769e+06 1.677430e+06 5.109684e+04 1.531327e+06 9.471986e+05 1.355883e+06 69082.32 1.775651e+06 1.348444e+06 1.391589e+06 6.896385e+04 1.640345e+06 1.256435e+06 1.201443e+06 5.899690e+04 1.794349e+06 1.320699e+06 1.155777e+06 8.552447e+04 2.212972e+06 1.320126e+06 1.200926e+06 1.452412e+06 1.023939e+06 3.598550e+05 1.320416e+06 1.766808e+06 1.731197e+06 2.984196e+06 1.268277e+06 9.864819e+05 1.417042e+06 8.115372e+05 1.762010e+06 1.603352e+06 1.437495e+06 1.345473e+06 2.110055e+06 1.323330e+06 8.060116e+05 1.683056e+06 1.435426e+06 1.222261e+06 1.238994e+06 1.491090e+06 1.370239e+06 1.440632e+06 1.187364e+06 1.488304e+06 1.333091e+06 1.039668e+06 1.330381e+06 1.806136e+06 1.507090e+06 1.178311e+06 1.416987e+06 1.393052e+06 9.822408e+05 1.425867e+06 1.252375e+06 1.156593e+06 1.683055e+06 1.456650e+06 1.365168e+06 9.811979e+05 1.526077e+06 1.197392e+06 1.179099e+06 1.318190e+06 1.316411e+06 1.200395e+06 1.143278e+06 1.162416e+06 1.823978e+06 1.609352e+06 7.180446e+05 1.527121e+06 1.541500e+06 1.681430e+06 9.951347e+05 1.118507e+06 1.046456e+06 1.352060e+06 1.245256e+06 1.050032e+06 1.233679e+06 1.578848e+06 1.240410e+06 1.551008e+06 1.949867e+06 1.375533e+06 1.437268e+06 3.170463e+06 1.382214e+06 8.398361e+05 9.952678e+05 1.250433e+06 9.207080e+05 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7.002794e+05 1.957425e+06 1.170790e+06 1.833501e+06 1.406600e+06 1.529076e+06 1.542000e+06 1.239187e+06 1.125886e+06 1.416403e+06 1.214148e+06 1.239761e+06 1.141867e+06 1.309938e+06 1.431812e+06 9.965347e+05 1.028244e+06 1.067610e+06 1.217641e+06 1.271410e+06 1.140288e+06 1.478471e+06 1.057009e+06 1.096621e+06 1.341393e+06 1.230789e+06 1.144540e+06 1.355929e+06 1.616788e+06 1.305887e+06 1.336056e+06 1.326707e+06 1.086815e+06 1.739958e+06 1.074624e+06 2.057936e+06 1.685949e+06 1.615056e+06 1.582291e+06 1.127356e+06 1.173842e+06 1.570488e+06 1.886899e+06 1.684939e+06 1.869557e+06 1.468007e+06 1.161212e+06 1.020346e+06 1.378250e+06 1.225039e+06 1.091704e+06 1.372359e+06 1.373395e+06 1.063704e+06 1.265594e+06 3.220495e+06 1.530509e+06 1.404062e+06 1.226964e+06 1.164075e+06 2.055368e+06 C27 H44_1.751 8.828869e+06 1.220650e+06 9.470922e+05 9.105677e+05 4.526541e+04 8.730716e+05 9.878677e+05 1.819198e+06 78201.01 6.040755e+05 9.626824e+05 1.070596e+06 80938.11 9.910882e+05 1.057812e+06 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6.622215e+06 2.264443e+06 1.963091e+06 2.583693e+06 1.940279e+06 5.064760e+06 2.828947e+06 3.084191e+06 6.525141e+06 2.686422e+06 2.092576e+06 3.296322e+06 1.577783e+06 2.278285e+06 1.876346e+06 2.024154e+06 1.622045e+06 1.228556e+06 5.627279e+06 1.704589e+06 4.472150e+06 1.868550e+06 1.957061e+06 2.089461e+06 1.816947e+06 2.484529e+06 1.699786e+06 1.403053e+06 1.589118e+06 2.421112e+06 2.086536e+06 1.619755e+06 2.065786e+06 4.574333e+06 2.492474e+06 1.660476e+06 1.544631e+06 1.504429e+06 1.962890e+06 1.818803e+06 2.128638e+06 1.838287e+06 C12 H14 O3_1.754 1.746161e+05 4.632199e+06 4.039043e+06 3.249209e+06 1.187677e+05 3.317523e+06 2.984467e+06 4.001303e+06 122619.81 3.982840e+06 3.981260e+06 4.631226e+06 94490.85 4.305855e+06 4.095354e+06 4.786864e+06 1.335544e+05 1.466902e+06 4.900080e+06 2.008009e+06 2.326309e+05 2.570690e+06 5.315323e+06 5.391640e+06 92188.228 3.828430e+06 1.944074e+06 5.036119e+06 8.286290e+04 4.350323e+06 1.705932e+06 6.650237e+06 119268.95 4.095179e+06 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7.916927e+06 1.070791e+06 8.611204e+06 4.637809e+06 2.847287e+06 5.051945e+06 6.207527e+06 3.829049e+06 5.388926e+06 9.465448e+06 3.948654e+06 1.085719e+07 3.506193e+06 8.564209e+06 4.712107e+06 3.586978e+06 6.763935e+06 3.235257e+06 4.727386e+06 4.590594e+06 5.729035e+06 6.391547e+06 2.313236e+06 1.236191e+06 2.225059e+06 1.326519e+06 1.147447e+07 4.440516e+06 3.928983e+06 1.045155e+06 5.816238e+06 4.990619e+06 4.754671e+06 4.025884e+06 1.399740e+06 6.547172e+06 2.024988e+06 6.316967e+06 2.710458e+06 1.926082e+06 5.078471e+06 6.429954e+06 6.090014e+06 1.644092e+06 2.824739e+06 6.064699e+06 1.691439e+06 2.157697e+06 6.947595e+06 2.354884e+06 4.518101e+06 6.531790e+06 6.802065e+06 4.834859e+06 5.619967e+06 7.250728e+06 3.816419e+06 3.747347e+06 4.351966e+06 4.903069e+06 5.489273e+06 5.469983e+06 1.346369e+06 5.779306e+06 1.594410e+06 5.188597e+06 9.672012e+06 3.036483e+06 4.062957e+06 4.584950e+06 3.292898e+06 1.531409e+06 4.989116e+06 2.595802e+06 C7 H22 N9 O P_1.754 2.444259e+05 4.735322e+06 4.688143e+06 4.199319e+06 6.870826e+04 4.360153e+06 3.003339e+06 5.917274e+06 106526.32 4.374469e+06 4.684253e+06 4.448592e+06 94364.62 4.460226e+06 3.703906e+06 4.757571e+06 1.132038e+05 4.553689e+06 4.497613e+06 4.340485e+06 1.713371e+05 4.325409e+06 4.091704e+06 5.137186e+06 78365.410 3.990866e+06 4.873214e+06 4.516725e+06 7.252727e+04 4.429511e+06 4.531333e+06 4.616395e+06 109571.49 3.636749e+06 5.144624e+06 4.338628e+06 1.339889e+05 3.674407e+06 4.754738e+06 4.146678e+06 1.251871e+05 4.122764e+06 4.615443e+06 6.398161e+06 1.874581e+05 3.286743e+06 5.606525e+06 2.916832e+06 3.719454e+06 1.778339e+06 1.418324e+06 3.553955e+06 3.548092e+06 1.984638e+06 1.496975e+06 2.248261e+06 2.363637e+06 3.603213e+06 4.334113e+06 2.759999e+06 5.183677e+06 1.842044e+06 2.447287e+06 2.521656e+06 2.069729e+06 1.265261e+06 3.390971e+06 3.142242e+06 3.647896e+06 3.383832e+06 3.031316e+06 5.831616e+06 6.046998e+06 3.068422e+06 2.093252e+06 3.641145e+06 2.776831e+06 4.384553e+06 1.274790e+05 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6.468518e+06 5.793987e+06 5.852525e+06 2.712514e+06 6.872534e+06 6.246344e+06 3.239735e+06 3.785211e+06 2.964074e+06 3.264667e+06 4.430437e+06 2.128459e+06 1.545759e+06 2.520659e+06 1.237412e+06 2.171280e+06 2.532048e+06 2.748017e+06 3.974943e+06 4.112097e+06 1.932386e+06 4.296927e+06 1.579418e+06 1.669205e+06 2.682026e+06 1.250615e+07 2.990244e+07 2.194490e+06 3.894512e+06 C12 H27 N O5_1.755 4.524521e+04 2.635621e+05 3.175567e+05 3.804142e+05 3.510613e+04 2.825279e+05 2.811936e+05 3.133645e+05 48897.94 3.112502e+05 3.222277e+05 2.569084e+05 38468.05 3.431216e+05 3.344972e+05 2.850460e+05 9.118748e+04 3.321827e+05 2.415340e+05 3.075270e+05 9.707756e+04 2.484814e+05 3.529330e+05 3.821336e+05 45990.747 3.308972e+05 2.738515e+05 2.744350e+05 4.955063e+04 3.193093e+05 3.071503e+05 2.405153e+05 74158.32 3.380919e+05 3.117534e+05 3.602145e+05 8.782315e+04 1.551302e+05 3.181336e+05 2.141932e+05 8.236329e+04 6.637278e+05 2.592721e+05 4.862540e+05 5.526994e+04 2.439777e+05 2.802460e+05 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3.462639e+05 6.931683e+05 2.606871e+05 2.835476e+05 1.342674e+05 2.249607e+05 9.288555e+04 3.234816e+05 2.754479e+05 3.205889e+05 1.122804e+05 1.754758e+05 2.438292e+05 4.275852e+05 1.531408e+05 2.413924e+05 4.590433e+05 2.203627e+05 4.113084e+05 1.577199e+05 1.917191e+05 1.802626e+05 5.638633e+05 4.588381e+05 5.417551e+05 4.591446e+05 5.996084e+05 4.697992e+05 2.349779e+05 2.815317e+05 1.993407e+05 2.151079e+05 2.915800e+05 3.925877e+05 1.941449e+05 3.155572e+05 3.150215e+05 1.603019e+05 2.236726e+05 2.740208e+05 7.220973e+05 1.617074e+06 1.262827e+06 9.634885e+05 8.567271e+05 1.435327e+06 8.626943e+05 1.554273e+06 2.239289e+06 1.849240e+06 1.754938e+05 1.764984e+06 2.540253e+05 2.412920e+06 1.559210e+05 2.240354e+05 2.348970e+05 2.008605e+05 1.091989e+06 9.346477e+05 1.767529e+06 C29 H60 N9 O2 P S_1.756 5.884677e+04 4.866905e+05 6.025599e+05 5.006497e+05 4.479712e+04 5.949640e+05 5.984764e+05 5.474438e+05 56753.82 4.632633e+05 6.165778e+05 4.431281e+05 41719.92 6.082217e+05 6.582169e+05 4.107715e+05 9.731312e+04 5.671411e+05 5.754377e+05 6.300262e+05 1.386602e+05 3.919455e+05 5.656438e+05 6.321480e+05 58980.827 4.893753e+05 6.856657e+05 3.863858e+05 5.348468e+04 5.714471e+05 6.141199e+05 5.257382e+05 75680.63 5.170240e+05 5.840225e+05 5.877537e+05 8.873639e+04 4.007134e+05 6.763105e+05 5.906952e+05 7.908993e+04 3.611328e+05 6.055424e+05 5.507638e+05 5.803730e+04 6.086433e+05 6.100658e+05 4.555607e+05 4.799061e+05 7.577873e+05 6.962665e+05 5.728440e+05 4.568856e+05 3.535268e+05 3.798887e+05 3.504904e+05 3.883868e+05 2.414374e+05 2.140291e+05 7.400973e+05 2.879913e+05 2.064320e+05 5.143533e+05 5.206687e+05 6.321527e+05 6.795900e+05 7.978217e+05 3.222965e+05 5.207170e+05 2.780192e+05 4.171854e+05 4.931488e+05 4.755611e+05 4.955574e+05 5.616481e+05 4.750229e+05 6.738047e+05 4.524144e+05 1.915295e+05 6.448497e+05 7.478219e+05 5.612920e+05 3.194102e+05 6.805222e+05 3.633649e+05 7.419942e+05 2.533594e+05 1.361337e+05 5.256500e+05 6.255854e+05 9.379027e+05 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4.989507e+05 4.026836e+05 3.420949e+05 3.470225e+05 5.608179e+05 3.462723e+05 5.520017e+05 4.816164e+05 4.661026e+05 6.482867e+05 4.490064e+05 4.617779e+05 9.402731e+05 3.487401e+05 4.902725e+05 9.848059e+05 7.224292e+05 6.319076e+05 4.128833e+05 3.031623e+05 9.099270e+05 1.955674e+05 6.533656e+05 5.369587e+05 1.634987e+05 7.933468e+05 9.178028e+05 4.863152e+05 1.002320e+06 8.484402e+05 3.820137e+05 8.560219e+05 1.441300e+06 9.127773e+05 4.636116e+05 3.122022e+05 6.655735e+05 3.058263e+05 6.570406e+05 2.974774e+05 6.006909e+05 6.025558e+05 6.103039e+05 3.934523e+05 5.066555e+05 4.768290e+05 7.649634e+05 7.413447e+05 1.422853e+06 6.772772e+05 6.840259e+05 5.651317e+05 6.450435e+05 4.426931e+05 4.373006e+05 7.484671e+05 9.904075e+05 1.164711e+06 8.997040e+05 8.039299e+05 7.201123e+05 6.850382e+05 5.925954e+05 7.638543e+05 6.071074e+05 7.412259e+05 5.284079e+05 3.693008e+05 4.984360e+05 3.392077e+05 4.210650e+05 5.390217e+05 6.713488e+05 6.960153e+05 5.711847e+05 1.046251e+06 1.026172e+06 7.811988e+05 1.019436e+06 8.405605e+05 1.013893e+06 1.281312e+06 1.185179e+06 4.328693e+05 1.131455e+06 5.867880e+05 2.940597e+06 1.708358e+05 3.884927e+05 1.424802e+05 7.704357e+05 7.726182e+05 8.062588e+05 1.099795e+06 C12 H31 N8 O2 P_1.756 1.536857e+05 1.035758e+06 1.113610e+06 7.688112e+05 1.173835e+05 9.311215e+05 9.928579e+05 1.269789e+06 156430.51 9.607407e+05 7.992202e+05 1.116480e+06 127702.84 9.809950e+05 9.402175e+05 8.736907e+05 1.916223e+05 9.902478e+05 9.270646e+05 1.323587e+06 2.448256e+05 1.006588e+06 8.823860e+05 6.449670e+05 120932.152 8.305286e+05 1.664431e+06 9.991478e+05 1.097747e+05 7.050163e+05 8.843460e+05 1.290425e+06 158364.53 8.893488e+05 9.907535e+05 7.470839e+05 1.852718e+05 8.853682e+05 1.094731e+06 9.974908e+05 1.580676e+05 1.121400e+06 1.012290e+06 1.079821e+06 1.902869e+05 8.928100e+05 9.894166e+05 9.397672e+05 7.766329e+05 9.537072e+05 3.853004e+05 6.318343e+05 4.676953e+05 7.693823e+05 4.000429e+05 1.094935e+06 5.560216e+05 5.835772e+05 5.646685e+05 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1.058214e+06 1.189746e+06 8.665646e+05 9.917647e+05 3.091302e+05 1.230029e+06 1.583839e+06 4.145781e+05 5.665520e+05 3.621248e+05 3.246586e+05 2.731585e+05 4.381638e+05 6.749019e+05 4.122902e+05 3.571408e+05 3.251148e+05 9.929573e+05 6.884088e+05 1.204278e+06 1.047081e+06 1.303460e+06 1.137649e+06 7.952839e+05 9.065447e+05 8.314904e+05 9.378392e+05 1.438983e+06 7.402697e+05 7.099893e+05 7.325035e+05 8.446064e+05 9.930865e+05 8.978308e+05 8.952653e+05 8.407012e+05 8.014493e+05 7.749658e+05 1.008923e+06 8.734038e+05 3.196065e+05 3.867903e+05 6.200121e+05 4.858211e+05 1.103159e+06 1.371472e+06 8.833985e+05 9.432585e+05 1.253478e+06 1.103009e+06 9.623629e+05 9.723995e+05 8.420421e+05 7.705879e+05 6.765235e+05 6.185977e+05 8.135158e+05 1.675742e+06 9.307713e+05 1.091628e+06 1.261364e+06 8.019889e+05 5.829930e+05 8.586514e+05 1.031442e+06 1.249118e+06 1.281514e+06 7.465925e+05 1.059156e+06 7.659487e+05 7.534595e+05 6.496884e+05 1.410315e+06 1.411824e+06 1.054279e+06 6.115258e+05 9.963643e+05 8.196851e+05 1.294873e+06 9.457720e+05 1.330790e+06 9.349699e+05 1.210997e+06 1.419068e+06 1.099606e+06 7.465941e+05 8.992602e+05 2.906566e+06 1.608273e+06 1.298063e+06 1.879483e+06 2.496245e+06 1.776744e+06 1.102331e+06 1.075032e+06 9.741666e+05 7.506744e+05 1.116106e+06 2.010160e+06 6.237670e+05 5.991284e+05 5.573828e+05 9.104683e+05 8.787943e+05 8.254228e+05 4.980467e+06 5.090677e+06 6.055685e+06 4.312707e+06 4.330309e+06 5.812390e+06 4.451388e+06 4.988549e+06 8.983371e+06 5.341702e+06 4.544016e+05 6.014072e+06 1.013243e+06 1.249628e+07 4.829880e+05 6.429377e+05 4.970456e+05 7.328212e+05 4.098452e+06 4.563452e+06 4.174905e+06 C17 H37 N O7_1.757 8.769324e+04 7.752383e+05 7.185085e+05 7.294089e+05 6.879983e+04 7.487271e+05 7.907028e+05 8.803212e+05 105218.58 7.279106e+05 7.674413e+05 8.054157e+05 92324.13 7.074175e+05 7.474894e+05 6.659347e+05 1.062232e+05 8.349769e+05 7.130992e+05 9.125448e+05 1.509772e+05 7.301039e+05 6.745382e+05 6.473981e+05 66090.476 6.304282e+05 1.384700e+06 5.848530e+05 6.196012e+04 5.586582e+05 7.126469e+05 9.481259e+05 95022.18 7.404305e+05 6.848012e+05 5.950592e+05 1.112873e+05 6.841127e+05 9.265464e+05 8.302605e+05 9.741192e+04 7.406824e+05 7.872648e+05 7.880734e+05 1.498838e+05 7.279167e+05 7.902580e+05 7.092661e+05 5.395197e+05 5.889952e+05 2.248657e+05 5.254467e+05 3.246958e+05 6.273609e+05 2.075245e+05 9.976429e+05 3.706557e+05 3.997689e+05 3.802388e+05 8.603780e+05 4.952650e+05 4.589791e+05 3.442637e+05 2.782283e+05 2.432549e+05 7.870525e+05 4.984121e+05 2.199090e+05 2.022202e+05 1.773302e+05 2.941730e+05 2.225280e+05 3.435966e+05 2.113148e+05 4.622968e+05 4.462012e+05 4.119756e+05 6.740100e+05 1.913769e+05 6.620071e+05 5.815839e+05 5.711902e+05 4.088504e+05 4.656354e+05 4.605963e+05 6.258103e+05 2.538500e+05 2.639972e+05 3.896798e+05 4.505522e+05 5.632644e+05 3.392168e+05 5.273604e+05 3.122065e+05 5.125857e+05 4.426936e+05 5.078985e+05 8.157932e+05 2.542032e+05 4.861547e+05 3.973792e+05 3.073112e+05 5.193773e+05 4.255371e+05 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4.918572e+05 3.837803e+06 4.004476e+06 3.013114e+06 "(2Z,4Z,6Z)-2,4,6-Nonatrienal_1.759" 5.912368e+04 1.012215e+06 5.009064e+05 9.051815e+05 4.875186e+04 5.836258e+05 4.633854e+05 8.823322e+05 73152.62 6.510381e+05 8.034512e+05 8.998672e+05 57720.29 7.343498e+05 5.638401e+05 6.420899e+05 9.873719e+04 8.106576e+05 7.291023e+05 8.318462e+05 1.213102e+05 5.864063e+05 7.729111e+05 8.423302e+05 66697.592 6.584927e+05 6.730324e+05 8.320056e+05 6.447209e+04 6.068067e+05 7.494460e+05 9.789868e+05 84983.54 5.693251e+05 7.513210e+05 5.741108e+05 9.514129e+04 6.568187e+05 6.803965e+05 8.275164e+05 7.000144e+04 1.696072e+05 8.250141e+05 9.189614e+05 5.842436e+04 5.383712e+05 9.508825e+05 4.029008e+05 5.485805e+05 8.210438e+05 8.217058e+05 8.927587e+05 6.948451e+05 5.311311e+05 8.499425e+05 1.536582e+06 7.884911e+05 1.069122e+06 6.130396e+05 8.980664e+05 1.248075e+06 1.149579e+06 2.421129e+06 9.128278e+05 6.068149e+05 6.430184e+05 8.964964e+05 6.110523e+05 9.855207e+05 8.098110e+05 1.192416e+06 1.323426e+06 1.487572e+06 1.320278e+06 5.694217e+05 5.175254e+05 6.274462e+05 5.226813e+05 2.667665e+06 5.143215e+05 5.284535e+05 8.308590e+05 5.518874e+05 7.673908e+05 9.296780e+05 5.807543e+05 5.411339e+05 3.395895e+05 7.783251e+05 5.291003e+05 7.316072e+05 5.813289e+05 9.246925e+05 5.354568e+05 6.470579e+05 8.880097e+05 8.742029e+05 2.907781e+05 7.504970e+05 8.840497e+05 5.772710e+05 5.673499e+05 3.788980e+05 6.671899e+05 7.528965e+05 8.449355e+05 6.502180e+05 4.928107e+05 4.073038e+05 3.482571e+05 4.997103e+05 1.041804e+06 8.424463e+05 7.652101e+05 7.658705e+05 2.449884e+05 9.466694e+05 4.494182e+05 5.115896e+05 6.675571e+05 4.174373e+05 3.220358e+05 2.866965e+05 3.189900e+05 4.574421e+05 3.435399e+05 9.198941e+05 8.611700e+05 4.113120e+05 4.988590e+05 6.887391e+05 2.750600e+06 4.530938e+05 5.246886e+05 5.797258e+05 4.551552e+05 1.035346e+06 1.199854e+06 5.243410e+05 7.758581e+05 5.480283e+05 1.440926e+06 5.668178e+05 3.373220e+05 4.032424e+05 5.022780e+05 6.296081e+05 5.876876e+05 7.435837e+05 8.137924e+05 6.185666e+05 4.850865e+05 5.049205e+05 5.767685e+05 6.419229e+05 5.954373e+05 4.358647e+05 8.964927e+05 1.086326e+06 6.419371e+05 5.049807e+05 7.073038e+05 7.102289e+05 6.681920e+05 1.128102e+06 6.018040e+05 5.513095e+05 5.488964e+05 4.427872e+05 8.104575e+05 7.060328e+05 6.367875e+05 2.546350e+05 5.849502e+05 9.306519e+05 1.088279e+06 7.922649e+05 6.916134e+05 9.992069e+05 1.186810e+06 1.396950e+06 9.929432e+05 8.901011e+05 7.047478e+05 1.075946e+06 1.247229e+06 5.919728e+05 7.764560e+05 9.944024e+05 6.439061e+05 8.087660e+05 8.693301e+05 4.024589e+05 8.714122e+05 4.157993e+06 6.871837e+05 9.597524e+05 8.539047e+05 7.082864e+05 1.271742e+06 7.116715e+05 1.363954e+06 8.138824e+05 8.986118e+05 8.558501e+05 7.646865e+05 3.112556e+06 7.277257e+05 1.447031e+06 1.240427e+06 4.861539e+05 9.975061e+05 8.588706e+05 1.090316e+06 1.638987e+06 1.173807e+06 8.209864e+05 1.133407e+06 1.234246e+06 1.021966e+06 9.833974e+05 8.112489e+05 8.030645e+05 8.013873e+05 1.133378e+06 1.316592e+06 9.071103e+05 9.280201e+05 1.101210e+06 8.457793e+05 1.208586e+06 1.054581e+06 4.675353e+05 1.240263e+06 7.636131e+05 6.368066e+05 5.668229e+05 6.788725e+05 5.530861e+05 6.527997e+05 1.084476e+06 3.597653e+05 5.871226e+05 5.293872e+05 4.914335e+05 4.624078e+05 8.495464e+05 4.891213e+05 5.860488e+05 8.476759e+05 6.025769e+05 7.718277e+05 6.755031e+05 6.873486e+05 9.056201e+05 5.335561e+05 5.095578e+05 5.157253e+05 7.254520e+05 4.522284e+05 5.664172e+05 5.410431e+05 C10 H23 N O4_1.759 7.629706e+04 6.301180e+05 6.033214e+05 5.576381e+05 5.651483e+04 4.534441e+05 6.972750e+05 6.722089e+05 62315.20 4.644781e+05 6.152147e+05 5.238415e+05 44748.78 6.815926e+05 5.461835e+05 5.942771e+05 1.084009e+05 5.745634e+05 5.662067e+05 6.567092e+05 1.349540e+05 5.338227e+05 5.708164e+05 5.830788e+05 72335.992 5.171598e+05 6.519480e+05 6.122159e+05 6.703963e+04 6.142934e+05 5.645994e+05 6.254907e+05 95878.62 5.140047e+05 6.612907e+05 5.538436e+05 1.154893e+05 4.450100e+05 6.760846e+05 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6.598278e+05 9.990357e+05 123954.27 8.205644e+05 8.424507e+05 9.467024e+05 101989.80 8.391740e+05 8.054936e+05 7.816838e+05 1.155902e+05 9.755748e+05 8.791506e+05 7.971290e+05 1.741822e+05 7.422852e+05 9.517874e+05 1.079277e+06 83593.085 7.711843e+05 7.643946e+05 9.101546e+05 7.937939e+04 6.955371e+05 8.615435e+05 8.250134e+05 100847.46 1.001598e+06 8.833023e+05 8.631578e+05 1.124292e+05 8.304438e+05 7.670979e+05 9.835361e+05 1.042736e+05 5.752047e+05 9.825890e+05 1.118677e+06 1.479639e+05 7.345293e+05 9.123658e+05 7.226822e+05 2.451993e+05 5.094305e+05 2.966996e+06 1.307397e+06 3.019108e+05 1.324999e+06 2.594395e+05 7.263048e+06 3.169903e+06 3.505621e+06 7.818683e+05 7.949551e+06 6.024666e+06 3.162812e+06 3.583389e+05 1.187658e+06 2.280252e+06 1.240416e+06 5.075855e+05 3.015982e+06 1.867914e+05 4.569475e+05 3.491368e+06 3.869317e+06 1.326491e+06 2.483956e+05 3.630596e+06 4.115738e+05 1.967576e+05 5.132921e+05 6.083221e+06 1.364969e+06 5.987385e+05 7.779491e+05 1.793905e+05 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4.162326e+06 3.095091e+06 2.012791e+06 5.713463e+06 3.358916e+06 4.668106e+06 4.592248e+06 3.833888e+06 2.648578e+06 6.929792e+06 4.315416e+06 1.130884e+07 6.794929e+06 4.921571e+06 7.767354e+06 5.347582e+06 4.131127e+06 2.102064e+06 6.877991e+06 5.616829e+06 5.710040e+06 7.174978e+06 6.652359e+06 5.338684e+06 6.172235e+06 5.079776e+06 6.547780e+06 5.043435e+06 4.135339e+06 5.106301e+06 3.794294e+06 4.544421e+06 2.588666e+06 4.576211e+06 2.488854e+06 6.507017e+06 1.657691e+06 1.963082e+06 3.813024e+06 3.036250e+06 2.296593e+06 1.935329e+06 1.373258e+06 1.627975e+06 4.160778e+06 3.209848e+06 2.510509e+06 3.173016e+06 3.669154e+06 6.499481e+06 3.163227e+06 2.327812e+06 3.650776e+06 3.181941e+06 2.734570e+06 3.415439e+06 3.858596e+06 C5 H8 O_1.76 3.204200e+05 1.746657e+06 2.046833e+06 2.490187e+06 2.229797e+05 1.815715e+06 1.647100e+06 2.030842e+06 293206.49 1.655757e+06 2.071261e+06 3.419481e+06 235828.27 1.643632e+06 1.750449e+06 1.631486e+06 3.690827e+05 1.806037e+06 1.869589e+06 2.011259e+06 5.186109e+05 1.326988e+06 1.578433e+06 4.409154e+06 223588.775 1.105558e+06 1.627225e+06 1.867119e+06 2.524224e+05 1.900596e+06 1.947139e+06 2.349288e+06 292168.13 1.720224e+06 1.746209e+06 2.222779e+06 3.410047e+05 1.760512e+06 2.156867e+06 2.322032e+06 3.236678e+05 1.711794e+06 1.945045e+06 2.085238e+06 3.213010e+05 2.099028e+06 1.594971e+06 2.213174e+06 2.674403e+06 1.587335e+06 1.916507e+06 7.040463e+06 2.051947e+06 2.065639e+06 2.101685e+06 2.355490e+06 3.945024e+06 5.584613e+06 2.539334e+06 3.914682e+06 3.296503e+06 3.813570e+06 6.101808e+06 5.874174e+06 2.387297e+06 1.357361e+06 1.950931e+06 1.833711e+06 4.678269e+06 3.903890e+06 6.179381e+06 3.315471e+06 2.892252e+06 2.888402e+06 1.402338e+06 1.024183e+06 1.602067e+06 1.334552e+06 5.639917e+05 2.565616e+06 1.185212e+06 2.059086e+06 8.385187e+05 1.503759e+06 1.489547e+06 1.460271e+06 1.470082e+06 5.492599e+05 1.315686e+06 1.290445e+06 1.951967e+06 1.172572e+06 1.418642e+06 1.056191e+06 2.604684e+06 2.008930e+06 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6.035406e+05 7.077325e+05 5.369146e+05 3.921857e+05 6.177159e+05 5.694696e+05 6.115538e+05 5.904963e+05 3.760391e+05 4.472287e+05 8.214511e+05 1.388779e+06 6.243047e+05 4.287553e+05 3.243254e+05 6.379447e+05 7.880209e+05 4.189509e+05 7.274952e+05 4.947639e+05 7.629070e+05 7.158234e+05 5.438428e+05 3.879030e+05 6.190740e+05 5.421408e+05 9.402748e+05 8.133335e+05 4.433930e+05 4.690440e+05 5.860091e+05 7.212662e+05 4.588493e+05 4.402376e+05 5.918334e+05 7.436811e+05 4.738529e+05 6.104229e+05 4.969842e+05 5.218320e+05 1.006535e+06 5.774323e+05 4.267169e+05 6.321832e+05 C12 H14 N10_1.761 7.334708e+04 5.911885e+05 5.152359e+05 4.519224e+05 5.741135e+04 6.753505e+05 3.886195e+05 4.434748e+05 78147.30 4.737312e+05 5.747692e+05 6.163219e+05 49954.30 5.074914e+05 4.608715e+05 5.794753e+05 1.054900e+05 6.487611e+05 4.158034e+05 4.584856e+05 1.247756e+05 4.893631e+05 6.305206e+05 5.457775e+05 64707.252 4.280738e+05 6.484349e+05 4.621841e+05 6.536572e+04 6.034346e+05 4.990179e+05 5.257529e+05 97237.56 4.073071e+05 5.297667e+05 6.386928e+05 1.009498e+05 4.422829e+05 5.056911e+05 5.331724e+05 7.855312e+04 4.488537e+05 5.468429e+05 7.200658e+05 5.690981e+04 5.148940e+05 4.736617e+05 4.510505e+05 2.664157e+05 5.197009e+05 1.779214e+05 6.055385e+05 5.149731e+05 4.896001e+05 3.742558e+05 5.389117e+05 4.137407e+05 4.585812e+05 3.315507e+05 5.523310e+05 5.677433e+05 1.042294e+06 8.989052e+05 2.338243e+05 4.554518e+05 4.837899e+05 1.776037e+06 2.456617e+05 3.120853e+05 3.231156e+05 6.319549e+05 4.001735e+05 6.832400e+05 4.194147e+05 5.268564e+05 4.528252e+05 5.244086e+05 6.063737e+05 1.058368e+05 5.283956e+05 7.708380e+05 6.288715e+05 2.298676e+05 4.084492e+05 4.160396e+05 3.271373e+05 4.813260e+05 1.898810e+05 4.273575e+05 5.048469e+05 6.335402e+05 4.715769e+05 6.674119e+05 5.674359e+05 8.362966e+05 6.125411e+05 7.829775e+05 1.892893e+05 7.188938e+05 5.551389e+05 5.340142e+05 3.100461e+05 2.638458e+05 1.204198e+06 4.167300e+05 6.656277e+05 2.609198e+05 4.669342e+05 3.064315e+05 3.881638e+05 5.421624e+05 1.148146e+06 7.364657e+05 2.438260e+05 7.474629e+05 4.039044e+05 4.023805e+05 4.663991e+05 2.492232e+05 3.164556e+05 3.243036e+05 2.624892e+05 2.786142e+05 3.470372e+05 1.937352e+05 3.982832e+05 6.828718e+05 8.215207e+05 5.480947e+05 4.565956e+05 4.295932e+05 9.922413e+04 4.952906e+05 4.764502e+05 4.761406e+05 4.438109e+05 6.274239e+05 6.153463e+05 4.401798e+05 4.507396e+05 3.898782e+05 8.393871e+05 4.677365e+05 2.014871e+05 6.203996e+05 6.581830e+05 5.444176e+05 3.899763e+05 8.321101e+05 6.857188e+05 3.990957e+05 6.287954e+05 2.983358e+05 4.254950e+05 5.655286e+05 8.992316e+05 9.867181e+05 1.423096e+06 2.568616e+06 3.062118e+05 5.988911e+05 6.085352e+05 3.727504e+05 3.350097e+05 5.462185e+05 4.401367e+05 4.834925e+05 5.094527e+05 3.516217e+05 5.680578e+05 3.396218e+05 3.676763e+05 3.846989e+05 2.935391e+05 3.963650e+05 6.088808e+05 2.870798e+05 5.194632e+05 5.324069e+05 3.494806e+05 5.285616e+06 7.339827e+05 3.029207e+05 5.012226e+06 5.062071e+05 6.666274e+05 4.827194e+05 1.885454e+05 1.405074e+06 3.765641e+05 1.102642e+06 7.625722e+05 6.286311e+05 6.384110e+05 2.463800e+06 4.665311e+05 2.874278e+06 2.221681e+06 2.687027e+05 1.613140e+06 1.465477e+06 4.595911e+06 4.056293e+05 3.195777e+05 4.490861e+05 4.205801e+05 5.385303e+05 4.711720e+05 7.921352e+05 7.637976e+05 4.567783e+05 3.763048e+05 4.681781e+05 4.195397e+05 5.253777e+05 4.845032e+05 2.783451e+06 5.793347e+05 5.059919e+05 4.733567e+05 5.252609e+05 4.868136e+05 2.752022e+05 4.335299e+05 6.258295e+05 2.190556e+06 6.415220e+05 7.865246e+05 6.035081e+05 2.410786e+05 4.702334e+05 6.947503e+05 8.137518e+05 4.917456e+05 4.369048e+05 4.988717e+05 7.236106e+05 4.901232e+05 4.218880e+05 3.249451e+05 6.219277e+05 2.358844e+05 5.720666e+05 4.534526e+05 4.967769e+05 3.818361e+05 2.013579e+05 4.462812e+05 5.946539e+05 5.474916e+05 5.871536e+05 4.477141e+05 8.327836e+05 4.883775e+06 4.163450e+05 1.404754e+05 6.328920e+05 5.968457e+05 4.179185e+05 6.510540e+05 2.104381e+05 2.172167e+05 C9 H7 N O_1.761 2.846862e+06 1.478744e+06 1.399436e+06 1.316215e+06 1.151866e+05 1.195678e+06 1.186083e+06 1.941745e+06 109448.36 1.166798e+06 1.190784e+06 1.458420e+06 89364.13 1.436113e+06 1.222227e+06 1.268256e+06 1.967309e+05 1.420296e+06 1.452308e+06 1.423360e+06 2.354221e+05 1.165458e+06 1.512629e+06 1.507615e+06 134761.830 1.264412e+06 1.371438e+06 1.456695e+06 1.420728e+05 1.106844e+06 1.541091e+06 1.094338e+06 189551.22 1.476750e+06 1.305349e+06 1.487078e+06 1.948324e+05 1.432301e+06 1.272403e+06 1.613078e+06 1.661242e+05 9.470098e+05 1.392455e+06 1.762434e+06 1.106705e+05 1.234597e+06 1.446088e+06 1.169820e+06 5.565024e+05 8.810491e+05 3.476327e+06 1.894053e+06 8.122194e+05 1.742164e+06 1.257211e+06 7.855950e+06 3.609526e+06 4.129617e+06 1.200302e+06 8.343141e+06 8.292848e+06 4.173405e+06 1.403005e+06 1.989291e+06 2.824722e+06 1.574311e+06 9.279854e+05 3.601654e+06 5.442437e+05 8.951373e+05 3.588106e+06 4.062076e+06 1.575180e+06 7.975824e+05 4.700957e+06 7.006474e+05 7.735444e+05 8.503117e+05 6.493889e+06 1.555572e+06 9.281879e+05 1.360024e+06 5.246426e+05 7.893523e+05 6.057975e+05 2.103237e+06 3.034290e+05 1.364988e+06 5.667242e+05 6.343722e+05 1.780732e+06 6.558292e+05 5.202558e+06 4.049826e+05 1.157246e+06 3.740005e+06 5.941447e+05 2.506079e+06 1.164963e+06 8.851111e+05 2.717249e+06 1.409429e+06 3.840047e+05 5.883647e+05 5.511180e+05 9.119434e+05 2.107143e+06 1.097779e+06 8.345310e+05 6.896695e+05 9.628747e+05 1.450910e+06 4.462004e+06 2.089610e+06 3.363018e+06 6.761793e+05 8.989588e+06 5.705539e+05 1.705605e+06 9.893869e+05 9.268718e+05 1.017372e+06 1.533321e+06 3.002851e+05 9.860822e+05 4.623063e+05 1.340341e+06 1.472756e+06 7.071072e+05 8.566268e+05 3.579029e+06 6.262939e+05 9.256821e+05 8.762881e+05 1.212521e+06 1.409894e+06 9.642919e+05 5.298845e+06 4.405120e+05 5.636806e+05 1.497046e+06 1.129315e+06 2.406563e+06 1.806957e+06 7.894213e+05 1.061966e+06 4.200858e+05 6.366485e+05 4.060452e+05 6.543622e+05 7.634123e+05 9.771387e+05 4.305592e+05 5.492293e+06 5.061864e+05 5.147639e+05 8.885234e+06 6.704013e+05 1.234741e+06 8.016215e+05 8.429494e+05 1.389508e+06 1.090070e+06 7.224230e+05 5.126490e+06 1.229047e+06 1.168588e+06 1.659790e+06 2.324372e+06 1.316541e+06 9.983843e+05 8.856064e+05 2.142197e+06 6.454608e+05 7.088600e+05 6.428940e+05 8.675742e+05 7.812984e+05 1.142408e+06 5.899989e+05 5.091563e+05 1.759370e+06 1.604422e+06 1.854599e+06 3.705426e+06 1.884779e+06 1.262224e+06 1.373789e+06 1.643189e+06 6.597567e+05 9.810502e+05 7.429429e+05 6.376703e+05 1.171582e+06 7.637554e+05 9.138070e+06 1.796715e+06 2.457163e+06 6.092947e+05 1.105611e+06 3.400859e+06 1.083151e+06 8.858058e+06 2.839399e+06 2.035918e+06 7.831013e+05 9.892928e+05 1.369868e+06 7.690730e+05 1.035281e+06 5.956774e+05 5.557807e+05 2.704611e+06 1.104846e+06 4.491939e+05 5.878835e+05 5.196407e+05 1.682680e+06 1.056956e+06 2.215041e+06 1.284310e+06 1.638792e+06 1.617899e+06 1.367130e+06 1.342791e+06 1.363422e+06 8.592155e+05 7.906561e+05 3.650761e+06 8.659409e+05 4.023384e+06 6.138057e+05 1.361652e+06 2.292614e+06 1.175359e+06 1.006360e+06 6.480479e+05 9.756372e+06 8.202256e+06 6.783821e+05 7.939016e+06 1.060824e+06 1.179170e+06 1.554409e+06 8.766628e+05 1.382321e+06 4.902586e+06 1.214678e+06 1.368877e+06 7.956303e+05 6.437964e+06 2.523549e+06 6.042792e+05 7.452108e+06 3.060862e+06 3.260289e+06 1.111573e+06 1.414465e+06 3.155156e+05 1.146848e+06 1.391503e+06 8.852740e+05 C10 H16 O4_1.761 2.131306e+05 4.728919e+06 4.107181e+06 4.060133e+06 2.141235e+05 4.022534e+06 1.944767e+06 4.849787e+06 203200.44 4.342255e+06 4.393632e+06 4.411525e+06 207723.95 3.868972e+06 3.856808e+06 3.850207e+06 2.382325e+05 4.069977e+06 3.950195e+06 4.257186e+06 3.667120e+05 3.825523e+06 4.073778e+06 5.078379e+06 226883.147 3.404649e+06 4.320957e+06 2.507127e+06 4.717001e+05 4.043914e+06 4.520835e+06 5.787950e+06 268870.99 3.264624e+06 5.511274e+06 2.948469e+06 4.319729e+05 2.974509e+06 3.500196e+06 3.193325e+06 3.724637e+05 2.855740e+06 5.222269e+06 6.373156e+06 2.966160e+05 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3.367682e+05 4.983485e+05 8.068696e+05 1.069282e+06 7.337374e+05 4.009933e+05 C35 H58 N4 O7_1.764 1.942664e+05 1.179678e+06 1.151096e+06 1.100087e+06 1.699939e+05 9.468067e+05 1.170054e+06 1.331726e+06 145267.02 9.464228e+05 1.197300e+06 1.171064e+06 142791.71 1.196209e+06 1.045512e+06 9.322533e+05 3.465436e+05 1.066721e+06 1.101908e+06 1.340161e+06 3.862000e+05 1.064661e+06 1.048501e+06 1.193631e+06 203103.797 1.200645e+06 1.192736e+06 1.092138e+06 2.034809e+05 8.934275e+05 1.122273e+06 1.307357e+06 262097.80 1.038636e+06 1.149777e+06 1.210622e+06 2.828420e+05 9.381006e+05 1.173257e+06 1.198509e+06 2.420177e+05 8.590828e+05 1.378296e+06 1.188500e+06 1.396360e+05 1.053074e+06 1.111688e+06 1.069484e+06 7.466785e+05 4.954850e+05 5.481387e+05 5.885426e+05 4.748010e+05 5.049786e+05 6.357170e+05 6.592339e+05 5.521072e+05 5.893302e+05 5.877752e+05 5.278196e+05 6.307815e+05 6.092878e+05 6.228288e+05 5.852407e+05 6.153746e+05 4.771887e+05 6.032240e+05 5.729356e+05 5.388057e+05 6.051803e+05 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1.801588e+06 4.314316e+06 1.441203e+07 4.561341e+06 1.027441e+07 7.331111e+06 4.586292e+06 7.388500e+06 6.012481e+06 4.879179e+06 6.747025e+06 4.810085e+06 6.559130e+06 4.822207e+06 6.700101e+06 4.423593e+06 8.205594e+06 6.514811e+06 2.863514e+06 6.077328e+06 2.336058e+06 5.855171e+06 7.880555e+06 6.101722e+06 9.527042e+06 8.579401e+06 8.606134e+06 8.784823e+06 6.129869e+06 4.585089e+06 5.014490e+06 8.685784e+06 6.541450e+06 1.031861e+07 5.896205e+06 8.160933e+06 5.865084e+06 5.544179e+06 5.772427e+06 9.332436e+06 2.263957e+06 5.981709e+06 2.805461e+06 2.700999e+06 2.327105e+06 2.432039e+06 4.834709e+06 4.323890e+06 5.963731e+06 3.968552e+06 6.044002e+06 5.024625e+06 4.267180e+06 5.303051e+06 5.421257e+06 5.061464e+06 3.819905e+06 6.785327e+06 4.695130e+06 5.985660e+06 4.976760e+06 4.204178e+06 7.333529e+06 3.259722e+06 3.440161e+06 5.201600e+06 3.387028e+06 4.988855e+06 5.225620e+06 5.107863e+06 C33 H62 N9 O P S_1.766 4.037579e+04 8.408965e+05 7.992967e+05 7.160572e+05 5.810161e+04 6.266840e+05 8.168948e+05 8.955969e+05 49350.96 6.474766e+05 8.846994e+05 7.642193e+05 49372.97 8.351067e+05 7.156536e+05 5.695154e+05 1.218372e+05 7.324043e+05 7.605132e+05 9.906937e+05 1.325615e+05 7.013100e+05 7.017693e+05 7.979383e+05 69740.096 8.908541e+05 7.960160e+05 6.647415e+05 7.128805e+04 6.800864e+05 7.437758e+05 9.208758e+05 91206.79 6.782587e+05 8.158576e+05 8.778758e+05 9.811017e+04 6.205796e+05 7.977119e+05 8.363669e+05 8.476880e+04 5.191300e+05 9.238990e+05 8.407460e+05 4.787832e+04 7.818613e+05 7.665464e+05 6.956911e+05 3.465425e+05 1.725483e+05 1.882774e+05 2.062977e+05 1.646735e+05 1.746204e+05 2.236891e+05 2.290012e+05 1.971758e+05 2.031321e+05 2.034648e+05 1.842108e+05 2.202947e+05 2.088486e+05 2.188224e+05 2.040606e+05 1.950106e+05 1.636549e+05 2.083298e+05 1.983421e+05 1.866880e+05 2.091332e+05 2.254534e+05 2.061656e+05 2.334145e+05 2.309726e+05 1.884268e+05 1.640080e+05 1.956513e+05 2.233897e+05 2.045968e+05 2.122014e+05 1.590088e+05 1.561116e+06 1.443041e+05 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1.870031e+05 1.659121e+05 1.951728e+05 1.878485e+05 1.653956e+05 1.594696e+05 1.707815e+05 1.478433e+05 1.778597e+05 1.701245e+05 2.133614e+05 1.778844e+05 1.656260e+05 1.465035e+05 2.026540e+05 1.613241e+05 1.623334e+05 1.896702e+05 2.126565e+05 2.084306e+05 2.601511e+05 1.839278e+05 1.580984e+05 1.966792e+05 1.626092e+05 2.049328e+05 1.600558e+05 4.958143e+06 2.195002e+05 1.771141e+05 2.004729e+05 1.486481e+06 2.668711e+05 2.232697e+05 2.526438e+05 1.927228e+05 2.185910e+05 2.503165e+05 1.657515e+05 2.721354e+05 2.174480e+05 2.541812e+05 1.963283e+05 1.729224e+05 1.745916e+05 1.685677e+05 1.640462e+05 1.411890e+08 2.183460e+05 2.010808e+05 3.312715e+06 1.695329e+05 1.568469e+05 2.065720e+05 1.906683e+05 2.569273e+05 2.219188e+05 1.563033e+05 2.537167e+05 2.132133e+05 5.524072e+05 1.691784e+05 6.345033e+05 1.255625e+06 5.204338e+05 6.418660e+05 1.149324e+06 2.669100e+06 2.167521e+06 1.730858e+05 9.540676e+06 1.864203e+05 1.909044e+05 1.794536e+05 2.174875e+05 4.187606e+05 1.372951e+06 8.654375e+05 2.062220e+05 1.793597e+05 2.108542e+05 1.988165e+05 1.242203e+06 1.792635e+05 2.055394e+05 2.307712e+05 2.201155e+05 1.829647e+05 1.754797e+05 2.121142e+05 1.796591e+05 1.772106e+05 2.145580e+05 1.545478e+05 2.448136e+05 1.590007e+05 1.607422e+05 1.416964e+05 1.652880e+05 2.023867e+05 2.217040e+05 2.505478e+05 "Benzyl (2R,3S)-3-hydroxy-2-methylbutanoate_1.767" 2.715296e+05 4.393346e+06 6.027959e+06 4.540252e+06 1.520126e+05 6.080225e+06 8.180643e+06 5.235061e+06 194391.20 4.166079e+06 6.959287e+06 4.243691e+06 170374.41 7.036658e+06 3.999620e+06 5.479639e+06 2.399625e+05 6.253489e+06 6.874279e+06 4.543881e+06 3.597333e+05 6.611252e+06 4.527475e+06 6.406916e+06 215199.566 5.560792e+06 6.670445e+06 5.370927e+06 2.320785e+05 2.609092e+06 6.793412e+06 7.056821e+06 281652.98 4.396073e+06 6.270943e+06 6.614206e+06 2.773885e+05 4.593755e+06 5.515379e+06 5.862109e+06 2.329605e+05 3.932440e+06 6.697269e+06 7.131346e+06 2.409837e+05 4.407192e+06 6.644587e+06 4.626584e+06 4.042587e+06 4.470892e+06 9.738501e+05 9.161117e+06 5.816045e+06 3.909849e+06 5.809477e+06 5.687854e+06 6.750447e+06 8.095038e+06 5.484444e+06 4.142396e+06 1.370956e+07 5.221266e+06 6.485621e+06 8.543559e+06 7.910112e+06 5.807259e+06 3.694033e+06 6.199680e+06 5.393463e+06 9.356432e+06 8.350063e+06 4.446126e+06 1.126457e+07 1.289585e+07 6.798150e+06 7.355343e+06 3.150925e+06 6.111511e+06 6.095588e+05 7.505950e+06 7.515744e+06 5.943547e+06 4.449528e+06 2.501703e+06 3.635581e+06 4.626851e+06 1.568762e+06 2.256800e+06 3.886524e+06 5.519947e+06 7.861073e+06 6.770522e+06 7.114008e+06 4.399576e+06 5.053432e+06 5.734528e+06 9.082267e+06 1.898012e+06 6.219437e+06 4.336893e+06 4.815661e+06 4.631139e+06 3.472532e+06 5.609941e+06 5.892612e+06 7.225427e+06 5.370251e+06 7.284977e+06 3.343441e+06 4.803131e+06 3.187430e+06 8.324795e+06 6.325056e+06 4.208491e+06 7.810345e+06 3.077209e+06 4.527382e+06 6.595223e+06 4.314248e+06 6.389669e+06 1.686853e+06 2.318387e+06 2.546960e+06 5.395740e+06 3.298334e+06 5.096887e+06 9.262866e+06 2.357882e+06 5.881038e+06 4.037861e+06 8.749461e+06 5.873336e+05 2.114447e+06 7.224660e+06 6.482515e+06 5.047168e+06 8.584430e+06 7.221543e+06 4.892863e+06 5.752623e+06 3.182422e+06 1.424446e+07 8.370752e+06 3.678468e+06 4.042180e+06 5.664400e+06 3.073182e+06 2.934686e+06 8.083958e+06 8.151763e+06 4.682772e+06 3.543939e+06 5.936980e+06 4.839311e+06 4.574330e+06 5.338762e+06 1.049710e+07 1.115755e+07 8.879397e+06 2.427101e+06 3.275569e+06 6.065556e+06 5.467078e+06 6.263568e+06 7.003089e+06 4.845433e+06 5.803931e+06 4.561333e+06 4.234029e+06 5.223182e+06 5.680447e+06 4.813301e+06 5.004910e+06 6.459595e+06 5.058914e+06 5.220181e+06 1.019584e+07 7.563636e+06 6.393707e+06 8.912479e+06 6.378714e+06 7.334147e+06 3.963726e+06 5.165800e+06 5.097685e+06 1.001842e+07 5.391876e+06 1.688078e+06 2.113497e+06 2.585297e+06 1.944289e+06 5.181997e+06 3.428695e+06 8.092408e+06 1.038026e+07 5.034921e+06 1.809281e+06 7.136276e+06 2.583248e+06 2.436684e+06 4.947334e+06 5.952767e+06 7.310715e+06 4.435666e+06 8.004832e+06 4.508954e+06 3.913419e+06 1.828217e+06 8.114054e+06 8.718146e+06 8.348298e+05 5.186443e+06 6.883512e+06 7.738070e+06 1.492264e+06 4.966770e+06 2.120770e+06 6.940348e+06 7.971010e+06 7.132353e+06 7.415143e+06 5.249142e+06 5.326983e+06 6.818918e+06 7.804683e+06 1.200360e+07 6.297231e+06 4.748354e+06 5.333417e+06 8.213387e+06 9.651745e+06 8.845271e+06 6.719208e+06 5.089274e+06 7.731286e+06 3.105126e+06 6.159413e+06 5.571095e+06 5.078969e+06 5.782546e+06 1.070028e+07 3.744108e+06 9.865034e+06 4.915574e+06 3.562314e+06 2.700061e+06 8.144633e+06 4.997358e+06 2.446590e+06 6.621397e+06 5.176298e+06 7.085876e+06 8.056825e+06 4.464207e+06 1.361415e+07 3.173494e+06 4.304134e+06 8.308612e+06 1.976697e+06 5.587185e+06 3.287790e+06 4.760099e+06 1142.78659_1.767 1.124318e+05 1.714433e+06 1.574439e+06 1.730654e+06 8.321282e+04 1.180793e+06 1.640427e+06 2.046288e+06 91297.31 1.436989e+06 1.682421e+06 1.854228e+06 70803.46 1.478484e+06 1.222909e+06 1.467470e+06 1.687359e+05 1.787119e+06 1.577589e+06 1.745573e+06 1.902767e+05 1.511648e+06 1.399023e+06 2.113042e+06 122129.650 1.648688e+06 1.285603e+06 1.403627e+06 9.134264e+04 1.724421e+06 1.705080e+06 1.789777e+06 118892.32 1.690477e+06 1.610526e+06 1.243407e+06 1.340624e+05 1.265884e+06 1.964596e+06 1.736716e+06 1.088871e+05 1.328707e+06 1.986568e+06 1.407458e+06 8.725160e+04 1.861401e+06 1.578050e+06 1.389691e+06 1.375751e+06 1.627558e+06 7.632734e+05 1.209010e+06 8.316598e+05 1.283096e+06 1.280446e+06 9.572241e+05 1.027140e+06 1.121924e+06 1.069222e+06 1.997203e+06 1.307971e+06 1.478806e+06 1.562403e+06 1.497365e+06 1.192354e+06 1.267164e+06 2.144980e+06 1.096583e+06 1.099514e+06 1.168769e+06 1.918546e+06 1.680388e+06 1.776277e+06 1.351734e+06 1.056022e+06 1.252894e+06 1.669694e+06 1.348709e+06 7.064144e+05 1.609360e+06 1.634970e+06 1.906266e+06 1.075904e+06 1.961480e+06 1.638619e+06 1.464391e+06 9.353412e+05 8.232361e+05 1.675401e+06 1.701592e+06 2.083019e+06 1.661525e+06 1.692011e+06 1.417482e+06 1.683145e+06 1.173503e+06 1.257540e+06 1.130440e+06 1.441997e+06 1.550312e+06 1.533216e+06 1.305876e+06 9.408754e+05 1.596452e+06 1.789748e+06 1.320864e+06 1.135596e+06 1.218485e+06 7.642598e+05 1.034838e+06 1.427508e+06 1.850056e+06 1.624999e+06 1.341335e+06 1.784184e+06 9.737759e+05 1.757157e+06 1.148204e+06 1.127041e+06 1.689643e+06 1.037969e+06 1.010546e+06 6.424987e+05 2.169043e+06 1.184991e+06 1.359700e+06 2.944854e+06 2.166441e+06 1.527852e+06 1.666639e+06 1.735176e+06 2.777238e+05 1.530001e+06 1.331871e+06 1.471888e+06 1.773263e+06 1.774492e+06 2.100623e+06 1.381920e+06 1.808872e+06 4.726049e+05 2.183936e+06 2.869991e+06 5.868988e+05 6.413805e+05 8.799103e+05 9.819106e+05 7.837011e+05 1.427941e+06 1.584746e+06 9.522068e+05 1.509653e+06 1.030070e+06 1.651475e+06 1.081561e+06 1.554279e+06 1.905091e+06 2.170750e+06 2.352695e+06 1.932450e+06 1.954523e+06 1.671747e+06 1.392966e+06 1.278192e+06 1.689027e+06 1.291782e+06 9.991580e+05 1.241424e+06 1.673665e+06 1.361971e+06 1.238033e+06 1.141129e+06 1.232381e+06 1.210991e+06 1.794617e+06 2.003118e+06 1.095980e+06 1.109502e+06 1.518240e+06 1.181630e+06 1.679653e+06 1.342484e+06 1.644487e+06 2.577317e+06 1.644979e+06 1.799718e+06 1.042250e+06 1.467581e+06 2.550500e+06 1.258425e+06 1.756479e+06 1.600048e+06 8.999012e+05 1.804047e+06 2.636285e+06 1.494401e+06 3.149624e+06 2.404107e+06 9.935897e+05 2.730164e+06 2.243970e+06 2.767136e+06 1.146987e+06 1.157214e+06 1.378695e+06 1.251491e+06 1.956985e+06 1.063788e+06 1.833641e+06 1.806521e+06 1.386178e+06 1.361634e+06 1.462401e+06 1.527801e+06 1.768228e+06 2.189378e+06 3.954639e+06 1.827906e+06 2.566695e+06 1.579092e+06 2.284955e+06 1.499741e+06 1.386734e+06 1.839350e+06 2.528469e+06 2.594244e+06 1.638752e+06 2.191287e+06 3.503451e+06 1.533774e+06 2.042120e+06 1.637434e+06 1.511941e+06 1.731330e+06 1.554986e+06 1.789460e+06 1.532135e+06 1.289955e+06 1.538155e+06 1.456023e+06 1.884266e+06 2.375222e+06 2.549931e+06 3.952091e+06 2.537796e+06 2.798433e+06 4.306741e+06 2.502773e+06 2.776632e+06 4.274772e+06 3.716204e+06 8.379985e+05 3.174428e+06 1.462371e+06 4.639579e+06 8.497482e+05 9.001985e+05 6.892829e+05 1.319281e+06 2.203079e+06 2.292342e+06 2.654618e+06 C7 H21 N4 O5 P_1.767 4.379745e+04 4.461282e+05 3.425592e+05 3.133397e+05 5.247448e+04 1.731243e+05 3.308474e+05 4.221323e+05 48684.98 4.407531e+05 2.495495e+05 2.877850e+05 46518.16 3.057691e+05 3.214908e+05 3.632941e+05 1.004991e+05 4.536072e+05 3.041454e+05 2.310264e+05 1.214192e+05 2.992179e+05 3.944770e+05 4.737923e+05 61962.428 2.086378e+05 3.741179e+05 3.605149e+05 6.307174e+04 3.294442e+05 3.100353e+05 3.679444e+05 94525.21 2.235147e+05 4.350225e+05 3.891090e+05 1.049578e+05 3.329190e+05 2.174731e+05 2.417708e+05 9.132001e+04 4.321767e+05 2.806565e+05 4.842857e+05 4.614463e+04 3.227050e+05 2.880368e+05 1.366046e+05 4.360896e+05 3.477012e+05 2.435070e+05 3.696620e+05 2.007670e+05 2.521378e+05 2.380897e+05 1.905177e+05 2.510417e+05 1.982184e+05 2.727973e+05 3.279655e+05 4.540223e+05 3.126443e+05 3.018684e+05 2.893132e+05 3.471131e+05 2.367235e+05 2.221072e+05 2.141652e+05 3.708465e+05 1.837369e+05 4.435677e+05 2.981550e+05 2.969790e+05 2.848564e+05 1.646396e+05 3.138965e+05 1.730656e+05 3.147853e+05 8.511152e+04 3.088248e+05 3.620066e+05 4.693999e+05 1.775104e+05 3.716616e+05 2.078697e+05 1.760304e+05 2.468481e+05 2.294305e+05 2.402217e+05 3.731380e+05 3.622069e+05 3.369513e+05 2.460106e+05 2.645847e+05 3.079245e+05 2.685706e+05 2.511201e+05 2.280905e+05 2.858210e+05 3.632584e+05 3.383256e+05 3.436427e+05 1.260349e+05 4.540836e+05 3.113238e+05 2.960464e+05 2.657128e+05 2.330167e+05 1.127410e+05 1.461000e+05 1.644649e+05 3.694638e+05 2.523206e+05 2.656659e+05 3.984507e+05 1.989888e+05 4.801615e+05 1.939524e+05 1.859517e+05 2.121334e+05 2.194213e+05 1.295147e+05 1.408992e+05 2.122114e+05 2.502715e+05 1.754253e+05 3.910544e+05 3.297809e+05 3.015374e+05 3.066654e+05 3.678689e+05 1.037352e+05 1.154087e+05 1.969913e+05 2.841697e+05 2.676592e+05 1.672585e+05 2.335399e+05 1.805553e+05 3.292492e+05 1.566509e+05 3.619963e+05 3.182238e+05 1.300510e+05 2.045637e+05 1.820602e+05 1.702624e+05 1.621731e+05 3.038638e+05 5.735341e+05 2.295088e+05 3.345491e+05 2.521639e+05 4.008916e+05 3.235430e+05 2.432911e+05 3.458570e+05 4.582940e+05 3.440437e+05 3.236404e+05 4.138070e+05 1.830372e+05 1.725993e+05 1.648099e+05 3.505553e+05 2.544725e+05 2.017060e+05 1.525919e+05 1.984669e+05 1.933542e+05 2.098156e+05 2.279009e+05 1.955596e+05 1.299285e+05 2.635940e+05 4.018656e+05 2.439425e+05 3.574836e+05 3.968893e+05 2.857493e+05 3.112581e+06 1.607268e+05 3.244652e+05 1.942345e+06 4.096214e+05 3.910568e+05 3.419660e+05 1.256725e+05 5.349887e+05 1.955171e+05 7.626657e+05 5.510990e+05 4.264197e+05 4.575029e+05 7.827784e+05 3.264534e+05 1.210046e+06 7.861759e+05 2.255551e+05 1.005115e+06 1.093782e+06 1.745132e+06 4.789991e+05 3.250722e+05 1.830329e+05 2.162878e+05 3.475281e+05 2.468576e+05 3.545644e+05 4.144662e+05 1.627911e+05 1.512431e+05 2.246683e+05 3.241966e+05 3.690411e+05 4.048040e+05 1.193496e+06 4.857497e+05 3.119379e+05 3.647623e+05 3.990740e+05 1.649350e+05 2.755442e+05 4.247923e+05 3.569445e+05 5.957815e+05 3.532385e+05 3.885300e+05 3.316791e+05 5.242200e+05 3.401149e+05 5.535807e+05 3.749909e+05 3.934404e+05 3.986612e+05 1.727843e+05 1.794329e+05 2.004480e+05 3.298500e+05 2.561946e+05 3.215022e+05 3.122097e+05 4.102851e+05 2.650400e+05 3.515929e+05 2.169098e+05 4.614184e+05 2.412569e+05 3.188928e+05 3.379039e+05 3.649107e+05 4.339087e+05 4.253271e+05 3.006773e+05 4.769381e+05 1.665680e+05 1.910888e+05 4.389140e+05 4.743488e+05 2.397509e+05 2.029255e+05 2.068204e+05 C11 H11 N O2_1.769 6.315342e+06 2.508342e+06 4.138162e+06 3.735268e+06 3.660960e+04 3.518190e+06 2.522029e+06 5.014034e+06 39634.40 2.315767e+06 2.438772e+06 5.206440e+06 40444.26 4.186598e+06 2.459679e+06 2.898867e+06 1.139245e+05 2.462018e+06 3.139581e+06 5.838651e+06 1.371938e+05 1.555043e+06 3.275308e+06 3.370592e+06 72760.323 4.524102e+06 3.371344e+06 2.883364e+06 8.077227e+04 2.941774e+06 3.534030e+06 4.373473e+06 120729.84 2.497406e+06 4.304136e+06 2.052204e+06 1.376684e+05 3.275404e+06 4.161988e+06 4.523434e+06 1.248153e+05 1.218251e+06 3.714051e+06 4.787536e+06 8.026306e+04 3.514734e+06 3.254853e+06 2.496926e+06 1.871125e+06 7.976193e+06 3.819747e+06 2.152637e+06 3.663605e+06 3.723316e+06 1.976031e+06 6.725491e+06 1.306192e+07 1.217246e+07 2.413711e+07 2.537529e+06 3.515092e+06 3.041961e+06 4.145502e+05 5.165375e+06 2.603637e+06 2.458432e+06 7.783363e+06 8.626633e+06 7.098237e+06 1.728308e+06 1.263337e+07 2.481957e+06 2.108258e+06 2.497209e+06 5.758971e+06 2.322082e+06 2.756123e+06 1.343249e+07 6.032773e+06 2.864820e+06 3.365248e+06 1.870856e+06 1.852785e+06 8.239077e+06 8.888818e+06 4.541828e+06 3.423578e+06 3.343343e+06 1.617491e+06 1.950633e+06 3.355374e+06 2.326644e+06 7.308022e+06 1.623041e+07 5.329534e+06 1.349719e+07 1.492348e+07 8.635143e+06 2.227945e+06 5.458759e+06 2.240178e+06 2.553003e+06 8.870173e+05 2.408024e+06 2.823930e+06 1.935021e+06 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7.541465e+05 7.055329e+05 1.050763e+06 6.627379e+05 6.579684e+05 1.326649e+06 4.838350e+05 8.645066e+05 2.437741e+05 7.923591e+05 9.198658e+05 3.114515e+05 3.480128e+05 2.811546e+05 1.492431e+05 7.683130e+05 1.243027e+06 8.189772e+05 7.074859e+05 1.138543e+06 2.730553e+06 8.678045e+05 9.368278e+05 6.979823e+05 9.344912e+05 2.953099e+06 2.333838e+06 9.968822e+05 5.684657e+05 9.171873e+05 8.367547e+05 3.516956e+05 2.358819e+05 7.367266e+05 6.156776e+05 1.261960e+05 5.631733e+05 2.341968e+05 2.372097e+05 6.195846e+05 1.955936e+05 1.625589e+05 3.732055e+05 1.973285e+05 1.219796e+06 3.475870e+06 8.478916e+05 6.911971e+05 8.644621e+05 6.341796e+05 4.585794e+05 3.438572e+05 7.074207e+05 4.306519e+05 1.026555e+06 4.816304e+05 5.286139e+05 3.564082e+05 1.031992e+06 1.095464e+06 6.478193e+05 7.531549e+05 2.475398e+05 7.906955e+05 8.880080e+05 4.182079e+05 1.066810e+06 1.016389e+06 5.851259e+05 5.113207e+05 3.851707e+05 5.308121e+05 2.996897e+05 3.410219e+05 1.060100e+06 2.369542e+05 9.180136e+05 2.878159e+05 5.635578e+05 5.343970e+05 6.540471e+05 4.250335e+05 2.850172e+05 6.630240e+05 1.109233e+06 4.736652e+05 9.381109e+05 3.163102e+05 9.005698e+05 1.036201e+06 5.301611e+05 5.656313e+05 5.957929e+05 8.085771e+05 1.097402e+06 1.211069e+06 9.147014e+05 2.138990e+05 4.706114e+05 7.160732e+05 8.809491e+05 8.005515e+05 7.324845e+05 8.457073e+05 1.328521e+06 6.360497e+05 6.977657e+05 2.238765e+06 1.075271e+06 9.707928e+05 1.228434e+06 9.776566e+05 1.416051e+06 7.317955e+05 1.199637e+06 1.013992e+06 7.283375e+05 2.990990e+06 1.286916e+06 1.354288e+06 1.201518e+06 1.081495e+06 4.006477e+06 7.819680e+05 2.980675e+05 5.485573e+05 8.332098e+05 4.315329e+05 9.951092e+05 2.812517e+06 C32 H53 N5 O2 S_1.774 4.887405e+04 2.429473e+06 1.759477e+06 1.761543e+06 5.759463e+04 4.711567e+05 1.725773e+06 2.528332e+06 49790.21 1.341463e+06 2.265373e+06 2.216403e+06 53602.66 1.161149e+06 1.373390e+06 1.239310e+06 1.402260e+05 1.604435e+06 1.884052e+06 2.373131e+06 1.435669e+05 1.369435e+06 1.117802e+06 2.823931e+06 82890.780 1.501595e+06 1.296324e+06 1.995175e+06 6.009422e+04 1.429818e+06 1.755999e+06 2.613501e+06 84210.80 1.518302e+06 1.458689e+06 1.397567e+06 1.040876e+05 1.243610e+06 1.918264e+06 2.253513e+06 8.627997e+04 1.261939e+06 1.790616e+06 2.411989e+06 5.679691e+04 1.392460e+06 1.635973e+06 1.635705e+06 1.307769e+06 2.555900e+06 7.070009e+05 1.336515e+06 8.011501e+05 1.305856e+06 1.389848e+06 8.115284e+05 9.863606e+05 1.135155e+06 1.147564e+06 3.001416e+06 1.174495e+06 1.414147e+06 1.673848e+06 1.669516e+06 1.327342e+06 1.072603e+06 2.684778e+06 1.085947e+06 1.091648e+06 1.019653e+06 2.193562e+06 1.685055e+06 1.784152e+06 1.277194e+06 7.701224e+05 1.799298e+06 1.866909e+06 1.310788e+06 5.350993e+05 2.253079e+06 2.343619e+06 2.249218e+06 1.197970e+06 3.061033e+06 1.650481e+06 1.490810e+06 8.891005e+05 8.552067e+05 1.602439e+06 1.960483e+06 1.863478e+06 2.354123e+06 1.546553e+06 1.335582e+06 1.704699e+06 1.247754e+06 1.298698e+06 1.212180e+06 1.559587e+06 1.618519e+06 1.653142e+06 1.751482e+06 8.277183e+05 2.060300e+06 1.868371e+06 1.163801e+06 1.079421e+06 1.234214e+06 6.595878e+05 9.167899e+05 1.261095e+06 2.030382e+06 1.642431e+06 1.807532e+06 2.261405e+06 9.946212e+05 1.632634e+06 1.271825e+06 1.016081e+06 2.865695e+06 1.109160e+06 1.063338e+06 6.574270e+05 1.608320e+06 1.863227e+06 1.518679e+06 3.966471e+06 1.721448e+06 2.105394e+06 2.476409e+06 1.460675e+06 2.265534e+05 1.436225e+06 1.703309e+06 1.497670e+06 2.397651e+06 1.608608e+06 2.831079e+06 1.207958e+06 2.313071e+06 4.993334e+05 3.122591e+06 4.626023e+06 5.101792e+05 6.439572e+05 7.818983e+05 1.045466e+06 6.986670e+05 1.353787e+06 1.673884e+06 9.586601e+05 1.401667e+06 9.812404e+05 1.601795e+06 9.761823e+05 1.507845e+06 2.424127e+06 3.338767e+06 3.658266e+06 2.501917e+06 1.845836e+06 2.095199e+06 1.390758e+06 1.175722e+06 1.793972e+06 1.361445e+06 1.115184e+06 1.276642e+06 1.811940e+06 1.513933e+06 1.169184e+06 1.113484e+06 1.373643e+06 1.062978e+06 2.444801e+06 2.223311e+06 9.923104e+05 1.238937e+06 2.349989e+06 1.265945e+06 4.488679e+06 1.198333e+06 2.404953e+06 3.098301e+06 2.173740e+06 2.199390e+06 1.024659e+06 1.241905e+06 3.442674e+06 1.353919e+06 2.344650e+06 1.981731e+06 9.219012e+05 3.220360e+06 4.782330e+06 1.407231e+06 3.917979e+06 3.233614e+06 8.616814e+05 4.203050e+06 3.560525e+06 4.258841e+06 1.269400e+06 1.110673e+06 1.433829e+06 1.335808e+06 2.193266e+06 2.086715e+07 2.200519e+06 2.636109e+06 1.467849e+06 1.225753e+06 1.289509e+06 1.336785e+06 2.545886e+06 2.813833e+06 3.672647e+06 2.657051e+06 3.239757e+06 2.200079e+06 2.487384e+06 1.434288e+06 1.418353e+06 2.322932e+06 3.705407e+06 3.613243e+06 1.852053e+06 3.680695e+06 2.271096e+06 2.238291e+06 2.831940e+06 2.456915e+06 1.446693e+06 1.682126e+06 2.447596e+06 1.340549e+06 1.549882e+06 1.118302e+06 2.267345e+06 1.496056e+06 1.715016e+06 3.861775e+06 3.276442e+06 5.034829e+06 2.662522e+06 3.649185e+06 4.821945e+06 2.998927e+06 4.902965e+06 6.947532e+06 4.274350e+06 7.348210e+05 3.981976e+06 1.365781e+06 9.182828e+06 9.207649e+05 8.810270e+05 7.701834e+05 1.433892e+06 2.435989e+06 2.717342e+06 5.238090e+06 Ethyl 2-pyrrolecarboxylate_1.775 1.061219e+05 1.106222e+06 9.826760e+05 6.678881e+05 6.659372e+04 7.917569e+05 1.151153e+06 9.621256e+05 53258.66 9.123688e+05 9.708176e+05 1.116732e+06 48141.45 9.379933e+05 6.405217e+05 1.189127e+06 1.090848e+05 7.911521e+05 1.029735e+06 1.005701e+06 1.342912e+05 7.824882e+05 1.020148e+06 1.184193e+06 120055.852 6.612320e+05 1.043988e+06 9.471471e+05 1.328527e+05 7.316433e+05 9.893306e+05 1.331745e+06 146110.29 7.194890e+05 9.779138e+05 9.764609e+05 1.194781e+05 7.801002e+05 8.781539e+05 9.924970e+05 1.020311e+05 8.003307e+05 1.114710e+06 1.291097e+06 5.814568e+04 6.646882e+05 9.640580e+05 8.773802e+05 8.320696e+05 8.863678e+05 1.120079e+06 3.915229e+06 1.368039e+06 1.059093e+06 1.528977e+06 1.932255e+06 1.187756e+06 1.966798e+06 2.146942e+06 1.561132e+06 2.439061e+06 1.850578e+06 1.669523e+06 1.934400e+06 1.662615e+06 6.395765e+05 1.242283e+06 1.040155e+06 1.099035e+06 1.193057e+06 1.873206e+06 1.963633e+06 2.877993e+06 1.302123e+06 1.324132e+06 2.048781e+06 1.016002e+06 1.343659e+06 1.094695e+05 1.455012e+06 1.011874e+06 1.087684e+06 6.723926e+05 1.206270e+06 9.049172e+05 9.956577e+05 7.133371e+05 3.494219e+05 5.489361e+05 7.413564e+05 1.501511e+06 8.563125e+05 1.197054e+06 7.906190e+05 1.198840e+06 1.323753e+06 6.737097e+05 8.657542e+05 1.079501e+06 7.166787e+05 9.913022e+05 6.723423e+05 5.272714e+05 8.001013e+05 1.061689e+06 6.814012e+05 5.356544e+05 9.301504e+05 9.843065e+05 4.857411e+05 8.211332e+05 1.247085e+06 1.243857e+06 5.916454e+05 9.336263e+05 6.193617e+05 1.270350e+06 1.005601e+06 7.241724e+05 1.189874e+06 7.676367e+05 4.847370e+05 3.961387e+05 1.723862e+05 9.545735e+05 7.715448e+05 1.348175e+06 1.012240e+06 1.112501e+06 1.196359e+06 1.447496e+06 1.180646e+05 8.431249e+05 7.659609e+05 8.973722e+05 7.128214e+05 1.215509e+06 1.215942e+06 9.488785e+05 9.453286e+05 1.002866e+06 5.499600e+05 1.206877e+06 6.600971e+05 9.597708e+05 1.183633e+06 1.096584e+06 1.153187e+06 2.029466e+05 1.320393e+06 1.423235e+06 1.193218e+06 6.399493e+05 7.774319e+05 6.699486e+05 1.270477e+06 1.203214e+06 1.019890e+06 1.351027e+06 9.029335e+05 6.727915e+05 1.532869e+06 7.467202e+05 8.728940e+05 1.184441e+06 8.389900e+05 1.081939e+06 9.933164e+05 7.557195e+05 8.371644e+05 1.086180e+06 7.614552e+05 1.358013e+06 1.129221e+06 1.518766e+06 1.180962e+06 1.438694e+06 9.667828e+05 1.512683e+06 4.153982e+06 1.548755e+06 4.164011e+05 7.417498e+05 1.358583e+06 5.238048e+05 8.763354e+05 1.175825e+06 7.458891e+05 1.048868e+06 9.567363e+05 1.679044e+06 5.622889e+05 4.619538e+05 1.044489e+06 1.173096e+06 9.501295e+05 7.869438e+05 8.820175e+05 8.263338e+05 7.650367e+05 1.336778e+06 1.231679e+06 1.182711e+06 6.134372e+05 1.162067e+06 6.850874e+05 9.523984e+05 9.144012e+05 1.172912e+06 7.883649e+05 6.411339e+05 9.046812e+05 7.782842e+05 1.209770e+06 8.453478e+05 1.321983e+06 1.140134e+06 9.467254e+05 1.008219e+06 1.028017e+06 8.063293e+05 8.565890e+05 8.778436e+05 9.558432e+05 1.029218e+06 1.036088e+06 1.457551e+06 1.131103e+06 1.277697e+06 1.246422e+06 1.232626e+06 9.621524e+05 7.910831e+05 1.291750e+06 8.777088e+05 9.000919e+05 1.161083e+06 5.872928e+05 1.161900e+06 1.537222e+06 1.647194e+06 2.631212e+06 1.098640e+06 1.041652e+06 1.043717e+06 9.139214e+05 1.337090e+06 5.840408e+05 9.766013e+05 2.315415e+06 1.446972e+06 1.047501e+06 1.014190e+06 1.550238e+06 2.766696e+06 6.248252e+05 8.112518e+05 8.971344e+05 2.916437e+05 2.172710e+05 1.131715e+06 9.548830e+05 C15 H24 N10_1.775 2.717166e+05 5.321019e+05 5.149755e+05 6.618482e+05 6.121643e+04 5.495384e+05 5.069543e+05 6.350860e+05 74200.10 5.356822e+05 5.544738e+05 5.673596e+05 74971.05 4.090161e+05 7.140485e+05 5.322278e+05 1.550300e+05 5.008302e+05 4.743094e+05 7.545446e+05 1.642883e+05 4.505399e+05 6.101466e+05 5.075877e+05 87119.132 5.273430e+05 7.282804e+05 3.798069e+05 9.011689e+04 5.713832e+05 6.337129e+05 5.857370e+05 128815.50 5.087588e+05 5.637430e+05 3.355112e+05 1.259530e+05 6.236318e+05 6.339051e+05 6.354606e+05 9.578015e+04 4.385936e+05 5.489164e+05 6.835907e+05 5.685041e+04 6.429674e+05 4.185429e+05 5.412707e+05 5.332286e+05 1.054065e+06 3.329948e+05 2.809296e+05 2.365855e+05 3.807398e+05 5.540091e+05 7.079028e+05 5.680849e+05 3.246626e+05 6.253263e+05 2.760411e+06 5.653453e+05 4.674363e+05 6.830675e+05 5.646645e+05 2.398720e+05 1.975515e+05 2.983959e+06 2.863682e+05 4.951514e+05 3.128340e+05 3.177390e+05 2.892920e+05 2.921969e+05 4.025824e+05 5.189058e+05 2.040545e+05 5.332892e+05 7.280823e+05 1.333742e+05 5.527577e+05 2.418412e+05 5.520261e+05 4.192636e+05 4.398972e+05 2.414948e+05 4.234166e+05 3.848654e+05 2.688121e+05 3.864810e+05 3.703969e+05 8.461633e+05 2.982967e+05 5.660949e+05 1.038868e+06 2.623725e+06 4.491909e+05 2.762005e+05 1.806410e+05 2.853350e+05 5.749188e+05 1.074458e+06 7.982351e+05 1.763105e+05 3.579002e+05 1.569220e+06 7.730828e+05 7.264934e+05 8.114224e+05 1.619698e+05 4.913173e+05 6.873914e+05 8.118765e+05 8.610971e+05 8.848052e+05 9.073776e+05 3.456147e+05 3.091580e+05 2.207273e+05 2.381956e+05 8.630611e+05 5.075802e+05 4.133895e+05 3.541105e+05 7.852811e+05 5.848529e+05 2.681892e+05 4.068606e+06 6.169268e+05 8.636874e+05 5.170124e+05 4.388893e+05 1.577041e+05 7.340808e+05 4.429583e+05 7.119110e+05 7.186336e+05 5.056831e+05 9.583213e+05 6.121434e+05 5.853030e+05 6.041399e+05 9.446423e+05 1.091137e+06 5.561472e+05 5.296077e+05 1.130171e+06 6.416866e+05 5.691781e+05 8.338825e+05 1.535243e+06 7.482373e+05 1.646576e+06 1.831740e+06 3.588005e+05 1.691244e+05 2.237115e+05 2.709166e+05 7.857790e+05 5.578708e+05 4.865419e+05 3.267828e+05 6.687737e+05 7.646377e+05 3.535742e+05 7.166357e+05 4.204082e+05 7.495190e+05 3.447734e+05 3.048027e+05 5.927561e+05 3.488816e+05 9.478464e+05 5.738539e+05 3.329638e+05 5.085913e+05 5.984110e+05 4.798268e+05 2.369742e+05 5.404031e+05 2.741188e+05 1.026768e+06 4.812042e+05 3.726118e+05 3.607507e+06 2.771537e+05 5.065764e+05 8.191210e+05 5.261531e+05 6.461769e+06 2.089155e+05 5.967386e+06 4.535279e+05 3.021800e+05 4.117814e+05 1.272845e+06 7.481596e+05 3.235741e+06 2.291676e+06 7.050169e+05 3.919441e+06 7.332113e+06 3.881227e+06 4.721510e+05 7.377554e+05 4.733779e+05 2.433700e+05 5.022421e+05 1.738727e+05 6.807062e+05 5.499483e+05 4.458631e+05 3.715050e+05 4.952630e+05 4.282759e+05 4.755844e+05 4.841919e+05 5.747077e+06 4.750223e+05 7.117668e+05 3.526349e+05 8.234642e+05 4.520610e+05 3.777660e+05 5.501874e+05 7.373847e+05 3.032300e+06 4.636900e+05 6.065419e+05 3.876944e+05 2.488115e+05 3.183692e+05 6.167204e+05 2.736948e+05 1.074364e+06 6.019870e+05 4.179597e+05 4.540063e+05 4.203199e+05 6.683190e+05 4.004313e+05 5.778881e+05 2.588022e+05 3.031478e+05 6.323219e+05 2.910293e+05 2.835739e+05 3.663172e+05 2.862251e+05 3.333727e+05 6.058137e+05 7.047233e+05 4.342131e+05 3.298417e+05 5.087685e+05 6.266680e+05 2.007397e+05 5.456687e+05 4.169772e+05 2.079254e+05 2.558042e+05 4.824486e+05 4.629478e+05 C14 H5 N2 O4 P3_1.777 5.130858e+04 7.603957e+07 7.506461e+07 6.948041e+07 6.063036e+04 5.483088e+07 7.129965e+07 8.920530e+07 53482.03 7.175597e+07 7.393876e+07 8.394638e+07 52270.09 5.526080e+07 6.448538e+07 6.911786e+07 1.204036e+05 7.440905e+07 7.261691e+07 8.300920e+07 1.439386e+05 6.274316e+07 7.213100e+07 8.259090e+07 81896.402 6.020578e+07 7.980439e+07 7.809122e+07 8.334642e+04 5.095214e+07 7.415833e+07 9.145307e+07 110196.14 6.077505e+07 7.148821e+07 7.748384e+07 1.133630e+05 4.501929e+07 1.000799e+08 8.074676e+07 9.899835e+04 4.583981e+07 6.198783e+07 1.007588e+08 5.883476e+04 6.297475e+07 8.487848e+07 5.464920e+07 5.238987e+07 1.626804e+08 1.573580e+07 4.771596e+07 2.299784e+07 1.463582e+08 2.002967e+05 2.631502e+05 2.459350e+07 2.152449e+05 3.836246e+07 1.164271e+08 2.759528e+07 1.799669e+06 8.766636e+07 1.456672e+07 7.897093e+06 1.945923e+07 2.870620e+07 6.503203e+05 2.066624e+07 4.524491e+07 1.209313e+06 2.195757e+05 4.519921e+07 1.560749e+07 2.894678e+07 3.279676e+05 3.302500e+07 1.393893e+07 1.004590e+05 1.611395e+07 1.398875e+06 3.093528e+07 2.178630e+07 1.310785e+07 3.809219e+06 2.327037e+07 1.008269e+07 8.324176e+05 1.947081e+07 8.597486e+06 1.982202e+07 2.469422e+07 4.772503e+07 2.509562e+06 6.043803e+05 5.871451e+05 1.248880e+07 4.896829e+05 6.640605e+06 2.153384e+07 1.528278e+05 1.123912e+07 3.039376e+05 2.325161e+07 1.122548e+07 1.553084e+07 2.259613e+07 1.479847e+07 1.517742e+05 1.648663e+05 4.937992e+05 8.798689e+06 3.026332e+06 4.849689e+05 1.072481e+06 5.483243e+05 4.534601e+05 7.691311e+05 3.027595e+05 2.859351e+05 1.735883e+05 2.023395e+05 1.723607e+05 2.346997e+06 1.956187e+05 1.781735e+05 2.483751e+05 3.089629e+05 1.742804e+05 5.447952e+05 1.938092e+05 1.118665e+05 2.807690e+05 1.832413e+05 1.622577e+05 2.886266e+05 2.269889e+05 2.809869e+05 1.845135e+05 1.980134e+05 1.766283e+05 2.608938e+05 2.815699e+05 1.747077e+05 1.845610e+05 2.593427e+05 3.246868e+05 1.780045e+05 2.111620e+05 2.577170e+05 1.929456e+05 2.455515e+05 1.870784e+05 3.043580e+05 2.860547e+05 2.066388e+05 2.313924e+05 2.110384e+05 6.525663e+05 1.335349e+05 2.010874e+05 1.890215e+05 6.217299e+07 5.567979e+07 2.427324e+08 1.076178e+08 8.180825e+07 1.825588e+08 3.128239e+07 2.026521e+08 1.094808e+08 8.963416e+07 1.518673e+08 1.541343e+08 2.319335e+08 8.738983e+07 1.940255e+07 2.967981e+07 2.393039e+06 5.172379e+07 2.297195e+07 4.087276e+08 3.820479e+08 4.591503e+06 6.216720e+07 3.196419e+08 2.817305e+08 1.536090e+07 1.969149e+07 1.925039e+08 1.492400e+07 7.384710e+07 2.111989e+08 3.874946e+07 3.890266e+08 6.241148e+07 5.799527e+07 4.001161e+07 5.998459e+06 9.537225e+05 8.002888e+06 8.556998e+06 1.781139e+08 2.263884e+08 3.655507e+08 2.145635e+08 2.574315e+08 4.772913e+07 2.838900e+08 9.212368e+07 1.922333e+07 4.751901e+08 8.498207e+07 4.922031e+08 1.337436e+08 4.581516e+08 4.757185e+07 1.260345e+08 5.644577e+08 1.850180e+08 5.074150e+08 3.802458e+08 2.071538e+07 4.171979e+06 6.825964e+07 4.486572e+08 8.632761e+07 3.332680e+07 1.110612e+08 6.609858e+07 2.544420e+07 1.545739e+08 1.291410e+08 3.021996e+07 9.564655e+07 1.487052e+08 4.515100e+08 1.217628e+07 6.257454e+07 2.422828e+07 7.322781e+06 3.846799e+08 4.793925e+07 1.360803e+08 5.239234e+07 1.490053e+07 4.537434e+07 2.537629e+07 1.871159e+07 8.413366e+07 9.271985e+06 8.047319e+06 1.451604e+07 7.704686e+06 6.553354e+06 9.542806e+05 3.718952e+06 2.125592e+06 3.447951e+07 4.686316e+07 9.164274e+07 1.331735e+08 C43 H96 N6 O9 P2 S_1.777 4.742861e+04 1.457246e+06 1.420760e+06 1.517510e+06 5.856342e+04 1.620426e+06 1.073237e+06 1.748127e+06 62066.73 1.431614e+06 1.643195e+06 1.656669e+06 62633.90 1.321363e+06 1.443603e+06 1.187349e+06 1.484188e+05 1.463142e+06 1.523182e+06 1.688390e+06 1.659276e+05 1.171804e+06 1.789415e+06 1.513796e+06 86988.382 1.317903e+06 1.470492e+06 1.537966e+06 8.498420e+04 1.439181e+06 1.373383e+06 1.596610e+06 115780.61 1.547096e+06 1.418461e+06 1.537763e+06 1.228347e+05 1.117221e+06 1.616788e+06 1.748898e+06 1.035409e+05 1.164737e+06 1.713177e+06 1.448032e+06 5.872115e+04 1.404568e+06 1.306829e+06 1.601423e+06 1.250407e+06 1.796626e+06 4.821095e+05 9.003012e+05 8.319794e+05 1.551037e+06 8.122649e+05 6.603940e+05 9.821437e+05 8.799253e+05 5.966438e+05 1.855580e+06 1.136932e+06 1.431958e+06 1.265172e+06 9.861765e+05 9.304734e+05 1.472436e+06 1.874481e+06 6.458055e+05 8.139507e+05 6.558985e+05 9.895141e+05 1.321600e+06 1.152456e+06 8.814873e+05 1.221270e+06 1.267672e+06 1.307850e+06 1.452724e+06 6.954191e+06 1.320746e+06 1.580039e+06 1.659027e+06 1.144029e+06 1.627824e+06 1.161518e+06 1.612957e+06 9.634550e+05 7.753972e+05 1.502783e+06 1.689472e+06 1.499709e+06 1.358054e+06 1.249919e+06 1.100737e+06 1.629565e+06 1.160498e+06 2.194094e+06 1.670353e+06 1.135808e+06 1.171369e+06 1.401329e+06 1.421451e+06 1.000541e+06 1.216581e+06 9.072705e+05 1.424169e+06 7.472084e+05 1.472555e+06 8.916232e+05 1.074828e+06 1.636821e+06 1.764614e+06 1.554987e+06 1.486983e+06 2.298457e+06 8.925030e+05 2.831150e+06 1.512508e+06 1.332002e+06 2.045497e+06 9.336430e+05 7.734173e+05 7.151951e+05 1.737862e+06 1.354223e+06 9.906836e+05 2.893765e+06 1.263127e+06 1.250649e+06 1.603125e+06 1.607582e+06 1.279808e+06 1.307462e+06 1.700660e+06 1.580814e+06 2.027792e+06 1.598055e+06 2.306991e+06 1.062745e+06 1.665502e+06 4.810981e+05 2.568273e+06 3.105020e+06 3.402674e+05 5.272113e+05 7.055471e+05 5.984010e+05 6.151607e+05 6.449059e+05 9.268373e+05 6.923367e+05 1.188943e+06 7.505768e+05 1.692682e+06 1.107589e+06 1.348424e+06 1.845413e+06 1.943894e+06 2.403016e+06 1.732327e+06 1.335308e+06 1.730124e+06 1.151243e+06 1.343788e+06 1.502144e+06 1.296850e+06 1.196211e+06 1.350801e+06 1.410885e+06 1.239170e+06 1.768725e+06 9.589160e+05 1.606073e+06 1.065920e+06 1.372742e+06 1.874437e+06 6.450177e+05 7.936156e+05 1.018734e+06 8.902008e+05 1.852716e+06 1.178390e+06 1.377567e+06 1.596146e+06 1.769020e+06 2.115264e+06 1.076656e+06 1.023681e+06 1.527972e+06 4.942502e+05 1.672702e+06 1.249044e+06 7.095302e+05 1.849893e+06 2.071786e+06 1.731511e+06 1.942745e+06 2.065748e+06 1.160487e+06 2.582867e+06 1.848392e+06 2.276756e+06 1.397312e+06 1.247846e+06 1.355510e+06 1.547829e+06 1.880219e+06 7.978610e+05 1.785457e+06 2.102314e+06 1.355355e+06 1.132856e+06 1.338605e+06 1.584949e+06 1.609263e+06 1.827239e+06 3.444327e+06 1.618086e+06 2.699051e+06 2.838532e+06 1.925486e+06 1.335586e+06 1.368457e+06 1.810709e+06 2.394632e+06 3.248010e+06 2.563407e+06 1.921861e+06 3.392594e+06 2.026684e+06 1.764123e+06 1.367136e+06 1.300007e+06 1.687296e+06 1.516150e+06 1.117252e+06 1.096594e+06 5.649074e+05 1.792714e+06 1.413137e+06 1.563396e+06 3.099537e+06 3.712008e+06 3.584352e+06 2.875056e+06 2.324511e+06 4.372184e+06 2.401938e+06 3.828103e+06 5.443492e+06 4.100891e+06 8.165508e+05 3.564260e+06 1.477068e+06 7.282040e+06 7.697516e+05 7.602779e+05 4.608403e+05 1.213810e+06 2.729233e+06 3.412016e+06 3.857667e+06 3-(2-HYDROXYPHENYL)PROPANOATE 3.319053e+05 1.694376e+07 1.407811e+07 1.308589e+07 9.470516e+04 1.309132e+07 1.473740e+07 1.735889e+07 87601.69 1.401426e+07 1.551578e+07 1.534335e+07 80064.56 1.374755e+07 1.480540e+07 1.390062e+07 1.863649e+05 1.412202e+07 1.595230e+07 1.470906e+07 2.272303e+05 1.327488e+07 1.570702e+07 1.747533e+07 125812.210 1.127788e+07 1.661897e+07 1.512939e+07 1.224235e+05 1.236849e+07 1.498515e+07 1.814323e+07 170813.51 1.289753e+07 1.484742e+07 1.552398e+07 1.923638e+05 1.204417e+07 1.598423e+07 1.502137e+07 1.761050e+05 1.081110e+07 1.644541e+07 2.004644e+07 9.990925e+04 1.109856e+07 1.764550e+07 1.162830e+07 7.865273e+06 1.358063e+07 6.340692e+06 1.543963e+07 1.043170e+07 1.185533e+07 1.208359e+07 1.270529e+07 1.364065e+07 1.475024e+07 1.384139e+07 1.448683e+07 1.859739e+07 6.135593e+06 1.403688e+07 1.738982e+07 1.513836e+07 1.472034e+07 1.929650e+07 1.211219e+07 1.379582e+07 1.157681e+07 1.933802e+07 1.589892e+07 1.787099e+07 1.837597e+07 1.242849e+07 1.362332e+07 1.340442e+07 1.426591e+07 4.040585e+06 1.530170e+07 1.257415e+07 1.395574e+07 1.400286e+07 1.545540e+07 1.194617e+07 1.544715e+07 5.439367e+06 9.601675e+06 1.241912e+07 1.421095e+07 2.414281e+07 1.269764e+07 2.051165e+07 1.572029e+07 1.625776e+07 1.898393e+07 2.596970e+07 1.148709e+07 1.673706e+07 1.524297e+07 1.567976e+07 1.849275e+07 9.914346e+06 1.791713e+07 1.835285e+07 1.082819e+07 1.406541e+07 1.931223e+07 1.064904e+07 1.071790e+07 1.382168e+07 2.500929e+07 2.023184e+07 1.514689e+07 1.686847e+07 1.346506e+07 1.707786e+07 1.360552e+07 1.227253e+07 1.852194e+07 1.043412e+07 9.378743e+06 9.482713e+06 1.155852e+07 1.290312e+07 9.765760e+06 2.133592e+07 8.952778e+06 1.223996e+07 1.354528e+07 1.500369e+07 6.520568e+05 1.065888e+07 1.285164e+07 1.385300e+07 1.583479e+07 2.098521e+07 1.815457e+07 1.419039e+07 1.790655e+07 7.629114e+06 2.166347e+07 2.157924e+07 1.071435e+07 1.329081e+07 9.396514e+06 1.208223e+07 1.332764e+07 1.204280e+07 2.498981e+07 1.393274e+07 1.518944e+07 1.447062e+07 2.344970e+07 2.347995e+07 2.187666e+07 3.621275e+07 4.041532e+07 4.251319e+07 2.298033e+07 2.402981e+07 3.043496e+07 1.261098e+07 1.276941e+07 1.646922e+07 1.006778e+07 1.145426e+07 1.118551e+07 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1.576845e+07 1.637308e+07 1.324971e+07 1.304058e+07 1.821540e+07 1.381061e+07 1.851380e+07 1.348410e+07 1.257209e+07 2.303704e+07 9.726103e+06 1.142424e+07 2.027169e+07 9.311733e+06 1.018221e+07 1.331234e+07 1.484568e+07 C16 H35 Cl N4 O5 P2 S_1.779 2.967520e+04 2.906858e+06 2.797752e+06 3.182408e+06 3.647460e+04 2.507421e+06 3.531265e+06 3.384587e+06 34918.98 3.118714e+06 2.497452e+06 3.031087e+06 35468.78 3.103199e+06 3.102007e+06 2.864819e+06 8.376501e+04 2.806688e+06 2.815961e+06 3.209701e+06 1.000084e+05 3.198909e+06 2.805380e+06 3.109991e+06 54904.542 3.013617e+06 3.188139e+06 3.034639e+06 4.877962e+04 2.946072e+06 2.280720e+06 3.331675e+06 64987.20 3.191292e+06 2.854012e+06 3.427448e+06 6.319781e+04 2.893132e+06 2.868237e+06 2.965380e+06 5.935229e+04 2.570529e+06 2.628442e+06 3.851683e+06 3.348968e+04 3.229454e+06 3.342168e+06 2.262049e+06 2.397655e+06 2.820025e+06 2.075470e+06 2.639105e+06 2.622866e+06 2.913501e+06 3.145956e+06 3.142991e+06 2.861215e+06 3.280899e+06 2.874290e+06 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1.608082e+07 5.212677e+04 1.012586e+07 1.345271e+07 1.527735e+07 58439.37 1.976273e+07 1.571940e+07 4.888429e+06 5.688323e+04 1.684492e+07 1.892338e+07 1.543068e+07 5.624970e+04 1.558043e+07 1.272978e+07 2.110263e+07 4.403303e+04 8.417068e+06 1.331500e+07 1.587293e+07 1.381807e+07 2.169715e+07 1.200794e+07 1.404932e+07 1.312994e+07 1.433786e+07 4.354153e+06 2.086233e+07 1.462390e+07 1.629404e+07 1.224345e+07 5.192874e+06 1.617056e+07 7.201437e+06 4.445891e+06 1.696935e+07 5.548703e+06 1.593796e+07 1.734473e+07 1.372469e+07 1.961180e+07 1.452495e+07 1.028095e+07 3.726646e+06 1.299201e+07 1.982649e+07 1.416673e+07 1.502846e+07 1.001879e+07 1.789718e+07 3.900809e+05 1.492891e+07 4.758461e+06 1.032941e+07 1.362477e+07 1.825802e+07 1.179256e+07 1.940771e+07 1.083216e+07 5.823658e+06 9.702408e+06 6.426266e+06 1.451725e+07 2.394327e+07 3.063022e+06 2.073270e+07 3.421639e+06 1.498243e+07 1.425605e+07 1.428497e+07 1.560066e+07 1.924055e+07 1.638755e+07 1.152722e+07 1.364191e+07 1.357592e+07 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7.139302e+06 1.162238e+07 3.609401e+06 4.071796e+06 6.732484e+06 1.612592e+07 2.615618e+07 3.401085e+06 3.649751e+06 2.181217e+07 2.451827e+07 1.762053e+07 5.696736e+06 1.684427e+07 2.349881e+07 1.882428e+07 7.427997e+06 1.494820e+07 2.010635e+07 2.950226e+07 1.786531e+07 1.515858e+07 7.266646e+06 2.066702e+07 1.176656e+07 6.923797e+06 1.565100e+07 4.710374e+06 8.755049e+06 1.662834e+07 1.903367e+07 3.553612e+06 1.122734e+07 8.490599e+06 3.552341e+06 9.120332e+06 1.338564e+07 3.183642e+07 1.831733e+07 4.552050e+06 2.615022e+07 1.388516e+07 4.928360e+06 2.495977e+06 7.072387e+06 6.787729e+06 3.892852e+06 2.277421e+06 1.967721e+07 3.296299e+06 5.868349e+06 1.430168e+07 1.580429e+07 7.286400e+06 5.773120e+06 7.021834e+06 1.549022e+07 3.208561e+06 1.806425e+07 1.599262e+07 1.773326e+07 2.025679e+07 6.174813e+06 1.235462e+07 2.027859e+07 4.195973e+06 1.316793e+07 4.918834e+06 2.345788e+07 2.083993e+07 1.179845e+07 5.485681e+06 5.631154e+06 1.169299e+07 1.148320e+07 8.585352e+06 1.232362e+07 1.640562e+07 1.373731e+07 1.457495e+07 5.440281e+06 "2-(Hydroxymethyl)-3,5-dimethoxyphenol_1.779" 1.940624e+05 1.740297e+07 1.619082e+07 1.455691e+07 1.590822e+05 1.390513e+07 1.646609e+07 1.708584e+07 177290.94 1.550035e+07 1.691803e+07 1.761668e+07 142601.11 1.456190e+07 1.607680e+07 1.392002e+07 3.465323e+05 1.555840e+07 1.708822e+07 1.604539e+07 3.961636e+05 1.401097e+07 1.767624e+07 1.838809e+07 216378.164 1.358800e+07 1.615178e+07 1.690505e+07 2.224011e+05 1.374843e+07 1.708745e+07 1.882811e+07 316807.27 1.236076e+07 1.653235e+07 1.783522e+07 3.564586e+05 1.289153e+07 1.847233e+07 1.556439e+07 3.192610e+05 9.655210e+06 1.842158e+07 2.066397e+07 1.913109e+05 1.393493e+07 1.826182e+07 1.282377e+07 6.706642e+06 1.473899e+07 8.633647e+06 1.450271e+07 1.088516e+07 1.308016e+07 1.273631e+07 1.239286e+07 1.365665e+07 1.497038e+07 1.507627e+07 1.697481e+07 1.934935e+07 1.022078e+07 1.455442e+07 1.776583e+07 1.686813e+07 1.408625e+07 2.076744e+07 1.349597e+07 1.511759e+07 1.233945e+07 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4.968579e+06 7.388785e+06 5.065273e+06 4.643897e+06 9.002464e+06 3.857544e+06 3.669180e+06 6.551725e+06 3.372136e+06 3.210629e+06 5.615736e+06 5.070835e+06 C14 H22 O5_1.782 1.245074e+05 5.702360e+05 5.500580e+05 5.729092e+05 6.337649e+04 4.077713e+05 5.241933e+05 6.319287e+05 56865.59 4.172568e+05 5.139168e+05 6.694923e+05 51986.04 6.414680e+05 3.736041e+05 5.834968e+05 1.239352e+05 4.570014e+05 4.463420e+05 4.959065e+05 1.383771e+05 5.696896e+05 6.122733e+05 8.154588e+05 73883.385 3.552599e+05 3.546307e+05 6.564703e+05 7.483608e+04 5.429256e+05 4.238016e+05 4.635109e+05 86541.94 5.167875e+05 5.664915e+05 7.501733e+05 8.245237e+04 5.769700e+05 3.338206e+05 4.884211e+05 8.048384e+04 5.256206e+05 6.001425e+05 5.265279e+05 4.880126e+04 5.553531e+05 5.378651e+05 5.112994e+05 5.239532e+05 2.634521e+05 3.550264e+05 4.942847e+05 3.430861e+05 2.149708e+05 3.361155e+05 6.445019e+05 5.851464e+05 4.415228e+05 5.908296e+05 7.191110e+05 4.742366e+05 6.139886e+05 4.513538e+05 5.486379e+05 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6.229409e+05 1.486361e+06 4.653185e+05 4.179292e+05 2.950991e+05 6.922441e+05 5.201275e+05 4.278304e+05 9.654009e+05 7.823741e+05 3.912883e+05 1.159376e+06 3.926724e+05 5.920434e+05 7.109224e+05 4.771399e+05 4.696408e+05 4.382224e+05 5.720319e+05 5.126974e+05 2.706012e+05 6.222666e+05 1.060517e+06 5.608023e+05 2.218398e+05 4.399768e+05 5.585140e+05 5.349126e+05 6.170616e+05 3.713164e+05 4.590713e+05 6.405695e+05 7.758371e+05 4.040188e+05 7.126277e+05 4.263905e+05 1.302546e+06 5.581031e+05 5.488654e+05 2.390837e+05 7.878534e+05 9.787714e+05 6.288887e+05 9.744869e+05 C20 H34 N4 O4_1.782 9.315860e+04 4.563216e+06 2.500487e+06 4.384637e+06 1.126922e+05 3.053193e+06 3.929741e+06 4.600834e+06 98263.82 3.478746e+06 3.893085e+06 4.131728e+06 93832.47 3.407699e+06 3.546051e+06 3.601768e+06 2.170308e+05 3.944400e+06 3.603490e+06 4.093094e+06 2.585864e+05 3.086317e+06 4.151633e+06 4.814269e+06 145032.700 3.890081e+06 2.485919e+06 4.585824e+06 1.503242e+05 2.376136e+06 3.922031e+06 5.090100e+06 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2-(Diethoxymethyl)furan_1.782 2.612406e+04 4.185183e+05 2.506046e+05 4.869144e+05 3.487788e+04 1.074888e+06 4.493876e+05 4.845212e+05 51561.59 4.618781e+05 5.723230e+05 2.915959e+05 31620.19 5.627024e+05 8.066076e+05 4.199391e+05 1.105816e+06 6.139142e+05 4.833713e+05 3.554161e+05 6.749880e+04 4.741956e+05 6.573243e+05 7.529964e+05 45962.030 5.128444e+05 3.030564e+05 4.183623e+05 4.757144e+04 5.283452e+05 6.858930e+05 6.273844e+05 69826.48 2.445839e+05 5.808948e+05 7.538631e+05 7.186159e+04 5.804106e+05 3.397256e+05 4.180753e+05 7.534046e+04 3.853806e+05 8.660653e+05 9.401321e+05 3.431723e+04 2.890056e+05 6.360917e+05 4.056703e+05 2.532487e+05 1.549584e+06 1.763347e+05 6.641440e+05 6.601454e+05 2.966728e+05 4.209472e+05 7.141968e+05 5.175979e+05 6.718894e+05 9.625361e+05 4.093839e+05 1.126163e+06 8.479459e+05 6.644793e+05 5.428941e+05 7.538183e+05 3.673036e+05 5.999957e+05 6.346009e+05 5.827507e+05 3.740273e+05 7.761108e+05 8.388707e+05 1.115619e+06 1.005785e+06 7.577459e+05 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1.178652e+05 3.003919e+05 6.483636e+05 5.071589e+05 3.179447e+05 3.234771e+05 3.087445e+05 2.484210e+05 4.646123e+05 6.676991e+05 3.051010e+05 6.403817e+05 3.064546e+05 6.158737e+05 4.461119e+05 3.819901e+05 4.660691e+05 4.761170e+05 2.835302e+05 3.017832e+05 4.116907e+05 4.529245e+05 5.488304e+05 1.055839e+06 2.008476e+05 3.524018e+05 3.432629e+05 1.072545e+05 5.487614e+05 4.640463e+05 1.497318e+06 5.293435e+05 2.826242e+05 Cinoxate_1.784 3.703827e+05 4.289439e+05 6.652272e+05 6.369849e+05 1.054543e+05 6.429265e+05 3.652275e+05 9.310937e+05 156629.36 6.468110e+05 4.716595e+05 5.531655e+05 102492.81 5.201608e+05 8.497466e+05 4.502435e+05 2.543940e+05 5.481831e+05 5.553576e+05 4.881993e+05 2.792727e+05 5.729746e+05 7.370500e+05 5.390472e+05 140229.467 6.841193e+05 6.997271e+05 4.943406e+05 1.425048e+05 5.388494e+05 6.862713e+05 5.999496e+05 213314.78 4.146462e+05 7.393612e+05 4.997159e+05 2.176764e+05 4.836067e+05 8.928003e+05 5.058969e+05 1.877209e+05 4.942684e+05 6.186228e+05 7.499324e+05 1.034400e+05 5.044862e+05 4.631234e+05 6.836639e+05 6.531718e+05 4.782219e+05 4.652669e+05 7.047440e+05 3.932813e+05 5.003250e+05 4.694726e+05 5.677540e+05 6.998532e+05 7.630999e+05 6.385473e+05 7.289172e+05 1.070226e+06 6.961172e+05 8.433590e+05 7.746957e+05 5.174008e+05 6.911122e+05 1.017498e+06 5.709104e+05 5.657634e+05 6.602931e+05 9.160508e+05 1.101180e+06 9.088161e+05 1.171840e+06 4.852934e+05 5.217492e+05 5.360126e+05 4.596710e+05 4.104991e+05 4.930319e+05 4.703580e+05 7.575539e+05 2.975875e+05 7.217042e+05 2.855871e+05 5.405736e+05 3.316857e+05 3.541709e+05 4.147471e+05 4.602012e+05 6.490421e+05 3.568875e+05 9.908136e+05 3.811376e+05 1.119376e+06 6.118070e+05 8.964617e+05 5.389629e+05 7.947470e+05 5.664050e+05 6.890064e+05 4.725537e+05 2.497201e+05 8.599689e+05 8.381847e+05 8.177774e+05 9.627490e+05 7.909833e+05 2.434746e+05 3.147613e+05 6.470115e+05 7.540368e+05 5.232631e+05 4.030578e+05 4.908448e+05 4.374747e+05 6.200848e+05 5.894716e+05 3.461329e+05 6.661950e+05 3.927669e+05 4.116962e+05 4.221236e+05 5.586221e+05 3.670793e+05 4.524835e+05 7.767315e+05 6.259742e+05 2.669236e+05 4.065556e+05 4.273609e+05 2.605527e+05 6.530741e+05 5.947625e+05 4.465095e+05 5.806403e+05 6.556877e+05 3.277029e+05 5.025147e+05 4.649948e+05 2.977328e+05 5.911957e+05 6.763394e+05 2.638475e+05 3.442896e+05 6.035272e+05 5.906338e+05 7.490062e+05 7.107164e+05 1.037895e+06 3.949909e+05 5.830627e+05 5.136180e+05 4.913968e+05 2.952693e+05 3.985126e+05 6.304307e+05 6.849868e+05 6.113222e+05 7.069379e+05 8.106670e+05 7.976178e+05 5.992147e+05 4.195885e+05 6.535181e+05 4.427852e+05 4.440780e+05 5.077193e+05 7.896621e+05 3.608652e+05 5.525428e+05 3.452375e+05 5.851573e+05 3.784568e+05 8.175134e+05 7.305360e+05 6.386736e+05 6.964843e+05 7.914786e+05 1.039433e+06 3.299733e+06 5.954277e+05 3.941343e+05 5.327074e+06 3.786379e+05 4.730491e+05 3.225017e+05 5.106240e+05 4.957998e+06 7.706840e+05 2.651043e+06 4.898569e+05 4.560622e+05 4.449424e+05 3.894042e+06 3.677464e+05 4.252610e+06 2.941502e+06 3.287581e+05 5.433485e+06 5.204084e+06 2.919677e+06 5.018545e+05 4.887456e+05 3.648636e+05 3.447857e+05 4.084946e+05 3.564978e+05 4.501472e+05 5.711188e+05 3.375239e+05 5.696917e+05 2.832200e+05 5.477683e+05 6.885911e+05 6.838898e+05 4.664204e+06 3.637360e+05 1.242873e+06 6.357973e+05 6.309341e+05 3.027345e+05 3.042562e+05 5.346664e+05 7.854695e+05 9.827186e+05 4.293284e+05 4.342835e+05 6.945953e+05 4.813389e+05 5.318563e+05 3.966283e+05 5.410240e+05 4.066366e+05 7.543597e+05 3.967639e+05 3.510786e+05 3.994362e+05 3.756251e+05 5.313909e+05 8.130565e+05 3.028199e+05 5.537175e+05 4.189263e+05 4.715010e+05 4.906033e+05 4.076491e+05 6.563480e+05 4.819024e+05 3.996694e+05 6.349741e+05 8.532384e+05 3.051750e+05 5.833367e+05 1.200022e+06 3.721992e+05 2.707195e+05 6.045314e+05 3.332578e+05 6.582824e+05 5.913164e+05 3.905888e+05 C18 H24 N10 O3 P2_1.784 6.090132e+04 1.628688e+07 1.489889e+07 1.876636e+07 6.379194e+04 1.475594e+07 2.356756e+07 1.980241e+07 52797.33 1.982824e+07 1.688264e+07 1.697703e+07 50033.15 1.690537e+07 1.831928e+07 1.900541e+07 1.065649e+05 1.489264e+07 1.513986e+07 1.736531e+07 9.866589e+04 2.371635e+07 2.014325e+07 2.004325e+07 64500.813 1.354813e+07 1.768511e+07 1.962059e+07 5.625360e+04 1.409044e+07 1.360514e+07 1.923127e+07 64312.43 2.380528e+07 1.774353e+07 1.211502e+07 6.341129e+04 2.161786e+07 1.999586e+07 1.856603e+07 6.144808e+04 1.733205e+07 1.302447e+07 2.357247e+07 3.958732e+04 1.829015e+07 1.749546e+07 1.598141e+07 1.221607e+07 1.776527e+07 9.343497e+06 1.578765e+07 1.387504e+07 1.636355e+07 1.744322e+07 2.057620e+07 1.787498e+07 1.740518e+07 1.560066e+07 1.369643e+07 1.653444e+07 1.460717e+07 1.588981e+07 1.928480e+07 1.166503e+07 1.537271e+07 1.738549e+07 1.554838e+07 1.949711e+07 1.963234e+07 1.451824e+07 1.657766e+07 2.069528e+07 2.635063e+07 1.755477e+07 1.913578e+07 1.754616e+07 1.798087e+07 3.162034e+05 1.500323e+07 1.763151e+07 1.300432e+07 1.564667e+07 1.790097e+07 1.334934e+07 1.876639e+07 1.100340e+07 1.647838e+07 1.435976e+07 1.645085e+07 1.725547e+07 1.867954e+07 1.909920e+07 1.846625e+07 1.113149e+07 1.655866e+07 1.615839e+07 1.538063e+07 1.767278e+07 1.629182e+07 1.626637e+07 1.534432e+07 1.533744e+07 1.449300e+07 1.810968e+07 1.508169e+07 1.417070e+07 1.464291e+07 1.220371e+07 1.186557e+07 1.372497e+07 1.942742e+07 2.060672e+07 1.035613e+07 1.878558e+07 2.201249e+07 1.634194e+07 1.710251e+07 1.289191e+07 1.497338e+07 1.156726e+07 1.216131e+07 1.270885e+07 1.347956e+07 1.856116e+07 1.659467e+07 1.984482e+07 1.203433e+07 1.389688e+07 1.855236e+07 1.721365e+07 6.245730e+04 1.504015e+07 1.521677e+07 1.736175e+07 1.600470e+07 1.930360e+07 2.093263e+07 1.752340e+07 1.681842e+07 8.743237e+06 2.073161e+07 1.726024e+07 1.494903e+07 1.773458e+07 1.530224e+07 1.549219e+07 1.356615e+07 1.794760e+07 1.721185e+07 1.595415e+07 2.262517e+07 1.302842e+07 1.617151e+07 1.780450e+07 1.966445e+07 1.945158e+07 2.050910e+07 2.264748e+07 1.443134e+07 1.620578e+07 1.124879e+07 1.248014e+07 1.786312e+07 1.381431e+07 1.591992e+07 8.808368e+06 1.617827e+07 1.365109e+07 1.501476e+07 1.649299e+07 1.615569e+07 1.479306e+07 1.669507e+07 2.066762e+07 1.870041e+07 1.715683e+07 1.419534e+07 1.860374e+07 1.941815e+07 1.649093e+07 2.288378e+07 1.594978e+07 1.492490e+07 1.741540e+07 1.723211e+07 1.313736e+07 2.103837e+07 1.321450e+07 1.052768e+07 1.956887e+07 2.364042e+07 1.040200e+07 1.373133e+07 1.917049e+07 2.102792e+07 2.152912e+07 1.609126e+07 1.301101e+07 2.290742e+07 1.977722e+07 2.368415e+07 1.835889e+07 1.625242e+07 2.644438e+07 2.170137e+07 1.889675e+07 1.914556e+07 2.533720e+07 1.134517e+07 1.861121e+07 2.260734e+07 1.892356e+07 1.286471e+07 2.913630e+07 2.063563e+07 1.739165e+07 1.417726e+07 2.573621e+07 1.801254e+07 2.077883e+07 1.424435e+07 1.381475e+07 1.960468e+07 2.113685e+07 1.479881e+07 1.421543e+07 1.089356e+07 1.574714e+07 1.846050e+07 2.087347e+07 1.775538e+07 1.642725e+07 2.142780e+07 1.899564e+07 1.290050e+07 2.262804e+07 1.456377e+07 2.059893e+07 1.980661e+07 1.832533e+07 1.726030e+07 1.885997e+07 2.436596e+07 1.908965e+07 2.035446e+07 2.029165e+07 1.769116e+07 1.665496e+07 2.402269e+07 1.573101e+07 1.429394e+07 1.270550e+07 1.619562e+07 2.574393e+07 1.192417e+07 1.051650e+07 1.302610e+07 1.737252e+07 1.682854e+07 8.867878e+06 1.995329e+07 C7 H13 N2 O2 P_1.784 1.816828e+06 2.817001e+06 2.600296e+06 2.581147e+06 1.505626e+05 2.881903e+06 2.544750e+06 2.132958e+06 77546.41 2.298095e+06 3.168793e+06 3.350625e+06 53071.89 2.416108e+06 2.473984e+06 2.785267e+06 1.088753e+05 2.989638e+06 1.987427e+06 2.925731e+06 1.276560e+05 2.103864e+06 3.075250e+06 3.488798e+06 68866.268 1.803018e+06 3.130792e+06 2.910841e+06 7.535594e+04 1.992822e+06 3.105823e+06 2.428763e+06 111579.50 1.596543e+06 3.256791e+06 3.992815e+06 1.113640e+05 1.481459e+06 2.529684e+06 3.943228e+06 1.030252e+05 1.607542e+06 1.776740e+06 4.440216e+06 6.673619e+04 2.000717e+06 3.042829e+06 1.994125e+06 1.454493e+06 3.266350e+06 2.183185e+06 9.326092e+05 2.603088e+06 2.881391e+06 1.030702e+06 2.966390e+06 4.762960e+06 6.320519e+06 7.857883e+06 2.147059e+06 1.589243e+06 1.075084e+06 1.102793e+06 2.147445e+06 6.159166e+05 1.175933e+06 4.925622e+06 3.221392e+06 2.155933e+06 9.868072e+05 8.663630e+06 1.054950e+06 1.039927e+06 1.118373e+06 3.478081e+06 3.285499e+06 2.509958e+06 5.500392e+06 8.317863e+05 3.600888e+05 3.648160e+06 7.039521e+05 4.376721e+05 5.652690e+06 2.976465e+06 4.325228e+06 1.443649e+06 2.082379e+06 5.391106e+05 2.416891e+06 1.323786e+06 2.720307e+06 4.783314e+06 1.057661e+07 1.518170e+06 2.746526e+06 6.836131e+06 1.240180e+06 1.541108e+06 2.188599e+06 2.476910e+06 1.468851e+06 1.500112e+05 1.297823e+06 1.095451e+06 2.058720e+06 1.306008e+06 1.357399e+06 1.248818e+05 9.079611e+05 2.767607e+06 1.473105e+06 1.439438e+06 2.431735e+06 1.813656e+06 2.338258e+06 1.856212e+06 2.025713e+06 1.052697e+06 1.866154e+05 4.113057e+05 2.921261e+06 4.756008e+06 7.015122e+06 4.328166e+06 1.621246e+06 2.893952e+06 1.277531e+06 4.093746e+05 9.709053e+05 5.611179e+05 1.456198e+06 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4.676972e+06 1.003125e+05 2.556702e+06 4.375366e+06 4.982035e+06 105147.29 3.694464e+06 4.259859e+06 4.706082e+06 105565.22 3.753322e+06 4.203911e+06 3.885120e+06 2.213030e+05 3.358090e+06 4.154041e+06 4.656847e+06 2.625798e+05 3.486943e+06 4.143260e+06 5.400458e+06 139027.350 3.911661e+06 3.646823e+06 4.041171e+06 1.285502e+05 3.710750e+06 4.323968e+06 4.891536e+06 184859.11 3.438020e+06 4.742680e+06 3.060269e+06 2.060036e+05 4.233665e+06 4.727570e+06 3.924137e+06 1.742580e+05 3.427851e+06 4.568102e+06 5.163303e+06 9.650873e+04 3.199376e+06 4.807675e+06 3.495305e+06 2.470750e+06 4.073987e+06 1.354301e+06 2.520087e+06 6.497692e+05 2.526025e+06 1.724118e+06 3.283594e+06 1.529566e+06 1.513004e+06 2.751100e+06 5.628116e+06 2.244517e+06 1.791674e+06 2.590412e+06 3.517344e+06 2.899790e+06 3.215922e+06 4.319862e+06 2.388505e+06 2.253586e+06 1.759900e+06 3.555224e+06 3.347954e+06 3.982786e+06 3.157963e+06 3.424656e+06 3.688874e+06 4.100546e+06 4.305466e+06 7.295538e+05 4.940699e+06 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1.187244e+06 8.627051e+05 9.842659e+05 8.991603e+05 1.273051e+06 7.719593e+05 1.919080e+06 1.107400e+06 1.164226e+06 8.129059e+05 7.138152e+05 9.617693e+05 1.091705e+06 1.454916e+06 2.343834e+06 1.589379e+06 5.659015e+06 1.087675e+06 1.358605e+06 8.442335e+05 7.917691e+05 1.230510e+06 1.076201e+06 3.188323e+06 1.875762e+06 1.447721e+06 2.353563e+06 1.056594e+06 1.133104e+06 1.478574e+06 6.850150e+05 1.554145e+06 1.247327e+06 9.824118e+05 1.227503e+06 1.361216e+06 1.171147e+06 7.256264e+05 1.547184e+06 1.008751e+06 1.046544e+06 2.765775e+06 8.587665e+05 1.326918e+06 1.302419e+06 9.175895e+05 1.313317e+06 1.553154e+06 1.265268e+06 8.524875e+05 1.091042e+06 7.302522e+05 2.279882e+06 6.761911e+05 5.076921e+05 6.740131e+05 6.844684e+05 8.282269e+05 1.402015e+06 1.345846e+06 C12 H31 N7 O2 P2_1.791 3.790758e+04 4.451611e+05 2.348850e+05 1.163244e+05 4.350149e+04 3.337270e+05 2.881948e+05 3.174108e+05 49206.79 4.769845e+05 3.602738e+05 2.500070e+05 50047.22 3.326690e+05 3.915521e+05 1.866795e+05 1.148126e+05 4.627857e+05 3.914117e+05 3.671087e+05 1.072908e+05 1.900255e+05 4.155824e+05 4.800772e+05 65772.775 2.845427e+05 3.587647e+05 2.976079e+05 7.155159e+04 2.750259e+05 2.050237e+05 5.437306e+05 100506.98 1.519102e+05 2.947949e+05 4.119635e+05 1.134326e+05 3.817661e+05 2.370680e+05 2.365192e+05 8.778658e+04 1.665302e+05 3.014267e+05 4.443215e+05 4.339911e+04 4.873444e+05 2.174911e+05 1.312631e+05 2.334985e+05 1.958987e+05 1.905606e+05 4.229921e+05 2.627702e+05 4.822596e+05 1.078363e+05 1.666263e+05 1.140056e+05 1.776785e+05 1.662799e+05 2.145220e+05 2.331748e+05 1.295322e+05 1.647306e+05 1.943512e+05 2.427698e+05 7.775743e+05 1.522628e+05 1.676709e+05 1.273731e+05 1.466453e+05 5.021256e+05 1.317978e+05 2.005110e+05 1.615036e+05 9.309680e+05 4.222130e+05 6.445941e+05 6.931879e+05 1.232994e+05 1.245948e+06 5.564862e+05 4.549144e+05 9.341450e+05 6.058662e+05 4.194875e+05 7.317619e+05 6.013762e+05 2.808941e+05 4.367455e+05 5.036376e+05 4.278307e+05 6.006899e+05 2.720352e+05 1.357507e+05 1.901791e+05 1.410002e+05 1.659454e+05 1.495616e+05 1.143345e+05 2.241296e+05 1.139952e+05 2.220950e+05 1.292136e+05 2.342789e+05 1.675005e+05 3.010162e+05 3.078827e+05 1.752741e+05 1.115623e+05 1.430142e+05 2.795503e+05 1.963551e+05 1.441570e+05 1.593562e+05 2.587794e+05 1.015091e+05 1.381307e+05 2.228082e+05 1.345041e+05 1.604654e+05 1.810377e+05 1.296698e+05 1.300331e+05 1.397607e+05 1.753704e+05 1.635076e+05 1.280875e+05 1.445830e+05 9.779390e+04 1.016735e+05 3.143703e+05 1.166785e+05 1.249660e+05 4.125439e+05 1.971178e+05 1.233922e+05 3.663431e+05 1.203552e+05 1.151295e+05 2.185616e+05 1.318505e+05 2.444974e+05 2.920400e+05 2.900509e+05 1.282857e+05 1.276178e+05 4.028801e+05 1.802288e+05 1.374900e+05 2.815251e+05 1.413250e+05 5.055565e+05 3.742969e+05 3.294001e+05 1.096491e+05 1.147479e+05 2.556574e+05 1.350237e+05 1.375835e+05 1.630496e+05 1.379916e+05 1.378111e+05 1.365314e+05 3.896981e+05 5.728233e+05 5.701704e+05 1.461575e+05 5.240205e+05 4.376881e+05 2.212368e+05 6.282950e+05 1.001526e+05 2.499838e+05 3.197363e+05 7.142172e+05 4.133031e+05 1.546170e+05 1.747708e+05 1.123187e+05 1.305704e+05 2.414514e+05 7.439182e+05 2.190715e+05 6.854268e+05 2.329947e+05 1.846311e+05 2.696317e+05 1.277014e+05 3.492195e+05 3.742437e+05 8.754470e+05 3.723828e+05 1.606702e+05 2.611484e+05 9.147222e+05 1.827210e+05 7.365320e+05 7.485763e+05 8.433473e+05 8.258656e+05 7.782870e+05 8.829848e+05 1.824973e+05 4.387010e+05 4.083030e+05 3.038337e+05 7.016989e+05 1.253955e+05 8.012040e+05 4.690973e+05 2.422117e+05 2.505376e+05 6.157457e+05 1.124554e+06 1.481106e+05 6.689382e+05 9.310934e+05 3.440118e+05 6.440696e+05 5.867466e+05 1.155300e+06 4.420404e+05 2.174856e+05 5.544059e+05 2.313801e+05 4.819532e+05 2.944368e+05 1.496035e+05 3.516768e+05 3.474296e+05 1.924853e+05 5.920456e+05 2.775557e+05 1.782508e+05 1.814302e+05 5.853038e+05 3.623484e+05 3.736304e+05 1.748739e+05 2.480771e+05 2.172710e+06 1.945909e+05 1.574500e+05 2.871680e+05 4.383775e+05 3.616112e+05 1.565655e+05 1.371053e+05 3.189422e+05 2.408580e+05 5.597807e+05 4.985920e+05 2.092713e+05 2.951006e+05 4.000145e+05 5.406697e+06 5.480151e+05 3.708356e+05 2.474047e+05 3.814957e+05 2.272514e+05 1.941761e+05 C15 H24 O6_1.792 1.418410e+05 1.957789e+06 2.436160e+06 1.999590e+06 1.471763e+05 1.844353e+06 2.322399e+06 2.247642e+06 158545.20 1.969091e+06 1.784576e+06 2.309846e+06 151329.77 2.299013e+06 1.914692e+06 2.100336e+06 3.359129e+05 2.035926e+06 2.050713e+06 2.471319e+06 3.727002e+05 1.689660e+06 2.316404e+06 2.522080e+06 214467.058 1.601511e+06 2.139359e+06 2.026836e+06 2.015667e+05 1.879410e+06 2.145780e+06 2.663945e+06 265711.13 1.910107e+06 2.034427e+06 2.210940e+06 2.949734e+05 1.696851e+06 2.407697e+06 1.927670e+06 2.633462e+05 1.851059e+06 2.033659e+06 2.233587e+06 1.386425e+05 2.448639e+06 2.150304e+06 1.862178e+06 1.297249e+06 1.641325e+06 1.232029e+06 2.420038e+06 1.594755e+06 1.743675e+06 2.039683e+06 1.925082e+06 1.981323e+06 2.205528e+06 2.304306e+06 2.096847e+06 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4.018242e+06 3.019213e+06 3.440523e+06 1.596574e+06 6.227680e+06 5.000264e+06 1.514840e+06 2.186443e+06 2.487978e+06 2.824061e+06 3.083102e+06 5.523832e+06 6.991568e+06 4.604912e+06 4.512182e+06 3.589875e+06 2.026281e+06 2.069843e+06 2.151985e+06 3.733162e+06 5.154687e+06 5.121200e+06 2.896593e+06 1.933253e+06 2.357120e+06 1.479583e+06 1.207257e+06 2.052219e+06 1.476760e+06 1.372701e+06 1.554687e+06 9.980316e+05 1.556542e+06 1.419007e+06 1.343795e+06 1.596072e+06 1.410338e+06 1.860973e+06 2.317993e+06 2.082951e+06 2.356186e+06 2.586558e+06 3.847138e+06 6.124324e+06 1.780433e+06 1.581368e+06 4.572829e+06 1.695328e+06 1.579335e+06 1.398251e+06 1.606910e+06 5.738494e+06 1.222927e+06 6.509657e+06 4.558993e+06 1.850364e+06 2.220967e+06 4.217177e+06 1.390734e+06 4.604266e+06 3.362193e+06 1.643398e+06 3.181372e+06 3.157156e+06 5.034761e+06 1.513462e+06 1.551744e+06 1.654779e+06 1.415795e+06 1.682047e+06 1.074858e+06 2.520043e+06 1.413992e+06 1.471739e+06 1.426894e+06 1.448438e+06 1.819177e+06 2.378462e+06 1.563127e+06 4.933438e+06 2.113005e+06 2.440423e+06 1.833217e+06 1.868626e+06 1.574670e+06 1.524100e+06 1.960672e+06 1.996843e+06 2.611177e+06 2.651840e+06 1.972057e+06 2.188233e+06 2.178896e+06 2.513271e+06 2.162097e+06 2.934878e+06 1.854494e+06 2.574575e+06 1.960176e+06 2.417966e+06 3.148169e+06 2.042531e+06 1.807471e+06 4.029147e+06 2.134056e+06 2.937939e+06 3.068949e+06 2.219880e+06 2.640824e+06 3.151178e+06 1.720662e+06 2.324533e+06 6.143392e+06 3.923500e+06 1.932372e+06 2.739209e+06 1.832309e+06 7.583463e+06 1.223077e+06 1.122315e+06 1.609604e+06 1.853821e+06 2.655159e+06 2.466810e+06 2.768142e+06 N-Nonanoylglycine_1.792 1.357956e+05 1.407200e+06 1.633245e+06 1.181933e+06 1.081138e+05 1.212811e+06 1.276466e+06 1.612337e+06 479562.67 1.270211e+06 9.048216e+05 1.203326e+06 153844.51 1.545770e+06 2.254639e+06 1.525713e+06 1.486005e+05 9.403067e+05 1.059516e+06 1.201086e+06 2.946693e+05 9.485512e+05 1.497261e+06 1.631533e+06 141339.221 1.402735e+06 1.487079e+06 1.485501e+06 1.261141e+05 9.905071e+05 1.281519e+06 1.386809e+06 170243.24 1.533294e+06 1.464799e+06 1.249693e+06 2.150674e+05 1.125346e+06 1.734665e+06 1.690317e+06 1.778168e+05 7.333813e+05 1.320780e+06 1.682432e+06 1.036565e+06 1.207699e+06 1.517743e+06 1.203587e+06 6.506529e+05 5.105282e+05 6.305047e+05 1.082518e+06 8.569929e+05 8.259326e+05 4.538915e+05 1.271469e+06 9.087073e+05 1.010000e+06 1.952913e+06 6.415339e+05 1.076211e+06 2.121390e+06 6.212652e+05 1.334835e+06 8.610256e+05 1.623868e+06 1.579338e+06 9.396817e+05 8.105009e+05 8.437121e+05 1.301459e+06 9.524661e+05 1.113294e+06 1.337882e+06 1.096247e+06 1.401363e+06 1.277267e+06 1.336062e+06 8.565655e+06 1.201357e+06 9.605658e+05 9.437937e+05 9.634329e+05 1.040708e+06 1.024523e+06 1.478855e+06 9.994063e+05 5.669564e+05 1.130423e+06 2.354262e+06 1.893606e+06 9.881454e+05 1.352562e+06 1.276874e+06 1.323724e+06 1.425064e+06 1.964851e+06 7.168457e+05 1.144602e+06 1.821636e+06 9.162706e+05 1.125049e+06 7.808913e+05 1.052228e+06 1.026100e+06 1.650190e+06 2.630005e+05 1.308749e+06 9.243991e+05 6.199221e+05 8.557920e+05 2.373101e+06 1.255130e+06 9.193894e+05 8.728789e+05 6.290012e+05 1.344448e+06 8.885790e+05 9.739548e+05 9.989886e+05 5.543786e+05 6.240829e+05 3.055173e+05 7.449662e+05 8.780748e+05 7.030212e+05 1.269447e+06 1.163138e+06 3.789656e+05 8.431258e+05 1.022772e+06 3.890808e+07 9.678140e+05 9.275486e+05 5.747599e+05 8.900798e+05 1.779714e+06 1.023721e+06 9.021392e+05 1.048740e+06 8.495724e+05 1.113086e+06 9.359003e+05 9.989886e+05 9.218799e+05 9.750546e+05 1.185192e+06 1.149128e+06 1.095936e+06 1.608452e+06 1.436570e+06 1.751127e+06 1.531008e+06 1.147568e+06 1.132209e+06 9.156119e+05 1.553747e+06 1.596547e+06 4.196815e+06 7.241541e+05 1.160403e+06 1.571100e+06 8.865494e+05 2.229516e+06 7.983527e+05 7.737114e+05 6.315882e+05 9.021338e+05 9.762781e+05 1.105089e+06 6.281540e+05 7.045296e+05 1.200260e+06 7.048335e+05 9.854271e+05 6.395997e+05 7.085245e+05 8.282054e+05 8.491906e+05 8.415556e+05 9.336660e+05 6.637826e+05 3.873703e+05 9.666041e+05 8.153647e+05 5.776747e+05 6.360476e+05 5.403888e+05 5.089641e+05 5.228906e+05 7.982411e+05 1.045952e+06 1.143827e+06 5.029485e+05 1.094554e+06 6.921853e+05 1.375499e+06 7.706936e+05 4.636264e+05 8.393623e+05 6.059147e+05 1.094669e+06 5.588183e+05 4.549510e+05 6.990782e+05 3.944595e+05 7.857128e+05 3.101419e+05 8.053517e+05 8.147540e+05 6.530495e+05 6.218001e+05 3.699588e+05 6.276540e+05 1.123801e+06 8.009072e+05 1.833263e+06 7.950357e+05 6.240951e+05 7.429833e+05 2.940727e+06 2.610964e+05 5.882045e+05 9.707747e+05 1.253940e+06 5.895649e+05 1.448979e+06 9.031913e+05 8.787147e+05 6.955866e+05 9.439120e+05 9.857394e+05 1.156122e+06 7.216712e+05 7.647600e+05 1.702342e+06 1.465121e+06 1.506759e+06 9.353599e+05 1.143342e+06 4.279615e+06 1.117189e+06 1.618282e+06 1.479190e+06 9.129206e+05 1.279170e+06 2.706019e+06 8.402152e+05 9.086789e+05 1.110621e+06 1.811214e+06 1.675104e+06 1.115728e+06 1.290180e+06 3.900605e+06 6.343601e+05 8.920106e+05 7.355107e+05 7.047018e+05 1.194994e+06 1.517737e+06 1.311454e+06 C25 H47 N5 O6_1.793 4.351618e+04 3.872532e+06 3.749232e+06 4.255917e+06 4.926309e+04 2.280882e+06 3.804064e+06 4.520817e+06 52714.06 3.223175e+06 3.827504e+06 4.148077e+06 53416.61 3.344599e+06 3.774592e+06 3.505581e+06 9.120294e+04 2.932727e+06 3.640148e+06 4.115116e+06 1.224858e+05 3.150481e+06 3.621058e+06 4.820777e+06 68631.223 3.554683e+06 3.286881e+06 3.625904e+06 6.495747e+04 3.309364e+06 3.670507e+06 4.277007e+06 93824.50 3.202473e+06 4.208278e+06 2.573537e+06 1.032786e+05 3.976366e+06 4.260734e+06 3.361813e+06 8.051749e+04 3.053213e+06 4.108358e+06 4.465372e+06 4.784180e+04 2.981600e+06 4.256140e+06 3.114787e+06 2.179853e+06 3.574673e+06 1.087996e+06 2.315559e+06 4.866482e+05 2.180753e+06 1.511273e+06 2.986226e+06 1.344375e+06 1.283152e+06 2.508325e+06 4.881405e+06 2.034562e+06 1.574369e+06 2.304419e+06 3.295361e+06 2.673664e+06 2.771296e+06 3.781502e+06 2.222192e+06 2.066410e+06 1.580802e+06 3.288434e+06 3.087844e+06 3.622406e+06 2.945816e+06 3.073727e+06 3.275414e+06 3.535370e+06 3.770218e+06 6.144501e+05 4.466781e+06 3.694925e+06 4.425589e+06 2.572016e+06 4.427011e+06 2.625650e+06 3.240083e+06 2.034389e+06 1.453263e+06 2.648481e+06 3.516212e+06 3.884991e+06 3.497528e+06 4.173322e+06 2.859709e+06 5.983620e+06 3.625263e+06 3.771397e+06 3.925403e+06 3.137812e+06 2.515825e+06 2.822410e+06 2.561041e+06 2.514698e+06 2.946136e+06 2.956301e+06 3.238779e+06 2.060526e+06 3.061797e+06 2.078901e+06 2.957676e+06 3.283632e+06 4.402818e+06 3.223647e+06 4.466194e+06 4.700252e+06 2.653521e+06 4.706893e+06 3.634505e+06 3.202313e+06 4.948860e+06 2.124350e+06 2.409721e+06 1.470499e+06 4.383135e+06 3.014512e+06 3.498993e+06 5.830450e+06 3.319226e+06 3.785211e+06 4.146605e+06 3.684060e+06 1.010073e+05 2.917551e+06 3.447742e+06 3.569812e+06 4.440613e+06 4.651160e+06 4.861540e+06 3.336722e+06 4.364437e+06 7.441983e+05 5.907352e+06 5.079492e+06 6.845898e+05 1.069053e+06 1.551265e+06 1.560489e+06 1.273628e+06 2.198044e+06 2.331181e+06 1.696502e+06 3.417487e+06 2.227805e+06 3.055970e+06 2.855711e+06 3.389196e+06 4.051142e+06 5.697623e+06 6.309588e+06 3.965387e+06 4.238300e+06 4.058304e+06 3.305142e+06 3.140890e+06 5.220788e+06 3.205916e+06 2.147369e+06 3.322366e+06 3.591627e+06 2.566707e+06 3.195392e+06 2.764507e+06 4.438152e+06 2.296573e+06 3.382375e+06 4.389505e+06 1.813370e+06 2.057279e+06 3.282493e+06 2.345939e+06 3.194302e+06 4.094582e+06 3.812781e+06 4.450993e+06 3.169394e+06 4.266986e+06 3.193717e+06 2.706035e+06 5.465994e+06 1.509695e+06 5.246903e+06 3.649451e+06 1.370905e+06 3.581001e+06 6.361292e+06 3.307422e+06 6.631747e+06 4.684146e+06 2.736844e+06 5.558219e+06 5.977035e+06 6.514018e+06 4.017525e+06 2.674403e+06 3.611503e+06 3.124551e+06 4.247426e+06 1.605089e+06 5.519619e+06 4.883071e+06 3.336996e+06 3.448469e+06 3.253515e+06 4.216652e+06 4.528761e+06 4.697075e+06 5.090540e+06 4.269724e+06 5.896282e+06 4.705639e+06 4.092733e+06 2.931379e+06 2.147687e+06 3.093683e+06 4.669216e+06 5.018436e+06 4.314244e+06 4.594115e+06 5.425715e+06 4.154147e+06 4.846915e+06 4.374498e+06 2.884257e+06 3.879704e+06 4.824397e+06 2.391752e+06 2.731926e+06 2.658577e+06 3.013658e+06 3.860976e+06 4.452560e+06 7.370791e+06 8.051362e+06 9.329157e+06 6.029218e+06 6.912604e+06 8.003152e+06 6.837779e+06 7.402611e+06 1.141106e+07 7.540465e+06 2.327922e+06 7.504277e+06 4.078137e+06 1.500306e+07 2.076914e+06 1.246748e+06 1.554468e+06 2.166028e+06 5.829264e+06 4.689511e+06 7.401922e+06 C10 H14 O3_1.795 1.113823e+05 6.494478e+05 4.310598e+05 5.519241e+05 5.633207e+04 7.233728e+05 5.155394e+05 7.212332e+05 53842.42 6.512579e+05 5.712741e+05 5.352736e+05 56269.29 5.930112e+05 5.920528e+05 5.358131e+05 1.057549e+05 6.426294e+05 6.753241e+05 5.072363e+05 1.348196e+05 5.353143e+05 6.880255e+05 8.094910e+05 84946.801 4.083157e+05 5.130455e+05 6.139209e+05 7.617884e+04 5.455324e+05 6.793501e+05 5.834166e+05 103802.68 6.286094e+05 6.778208e+05 6.002722e+05 1.161342e+05 4.212052e+05 5.678178e+05 5.993365e+05 8.417963e+04 6.240811e+05 5.126652e+05 8.353653e+05 7.314489e+04 4.931849e+05 7.170082e+05 4.473215e+05 5.255139e+05 5.923627e+05 4.584668e+05 8.275859e+05 3.772448e+05 3.952574e+05 5.377223e+05 6.067150e+05 6.663261e+05 8.350305e+05 6.783552e+05 6.172720e+05 6.419531e+05 9.008646e+05 7.768927e+05 5.004692e+05 5.586333e+05 3.625362e+05 4.647616e+05 3.898243e+05 5.969443e+05 5.018777e+05 7.169495e+05 9.265512e+05 5.404138e+05 5.489769e+05 6.115753e+05 4.571815e+05 6.361613e+05 8.759827e+05 4.830684e+06 3.707019e+05 5.974050e+05 5.712196e+05 4.327176e+05 5.053826e+05 4.818715e+05 4.373908e+05 1.322580e+05 2.230096e+05 8.369190e+05 6.377334e+05 4.659694e+05 3.793781e+05 7.704014e+05 6.346696e+05 8.475121e+05 7.547754e+05 6.360425e+05 3.790433e+05 4.402987e+05 6.550704e+05 7.778843e+05 3.639967e+05 3.674991e+05 4.537532e+05 8.460171e+05 6.727140e+05 3.003532e+05 4.858143e+05 4.684337e+05 3.154096e+05 3.073524e+05 1.288265e+06 7.025620e+05 4.493200e+05 1.080310e+06 5.464078e+05 8.646008e+05 1.846271e+05 3.985770e+05 4.785462e+05 2.974414e+05 3.344249e+05 3.848568e+05 5.817719e+05 3.185046e+05 4.974961e+05 2.292347e+06 3.828197e+05 4.785386e+05 6.099066e+05 6.220596e+05 2.652302e+05 3.695665e+05 3.730388e+05 3.546831e+05 4.268776e+05 5.062990e+05 5.799642e+05 4.756486e+05 5.062040e+05 4.928424e+05 8.833363e+05 4.480364e+05 3.415251e+05 4.401336e+05 4.290814e+05 5.183001e+05 3.213067e+05 3.323963e+05 6.933627e+05 5.143733e+05 3.814717e+05 3.231056e+05 4.787252e+05 6.043866e+05 3.990682e+05 7.593593e+05 1.153473e+06 1.152217e+06 5.987564e+05 4.947784e+05 5.510513e+05 3.983679e+05 4.062740e+05 5.605007e+05 3.568051e+05 3.400650e+05 3.919045e+05 4.292693e+05 2.607372e+05 3.215373e+05 3.420840e+05 5.556250e+05 2.884856e+05 4.405439e+05 3.931983e+05 7.751885e+05 6.737160e+05 6.796134e+05 7.226338e+05 1.176940e+06 2.240590e+05 3.596556e+05 1.484001e+06 5.321571e+05 5.190898e+05 5.492882e+05 5.330258e+05 1.608852e+06 3.233490e+05 1.066274e+06 5.736253e+05 3.649620e+05 8.415145e+05 1.118480e+06 5.792469e+05 1.177143e+06 1.704795e+06 4.754960e+05 2.429859e+06 1.905206e+06 2.027921e+06 5.028725e+05 3.879495e+05 3.955272e+05 3.916189e+05 3.982117e+05 3.574693e+05 6.767128e+05 2.184236e+05 3.206925e+05 4.312462e+05 5.495570e+05 4.510251e+05 5.660005e+05 3.739425e+05 1.398547e+06 8.742285e+05 6.379255e+05 7.612826e+05 5.012817e+05 3.686869e+05 6.515399e+05 5.103382e+05 7.756481e+05 1.565801e+06 7.118915e+05 5.077818e+05 1.196021e+06 5.271248e+05 4.959164e+05 8.051887e+05 3.629803e+05 3.459180e+05 5.414197e+05 4.526347e+05 3.498124e+05 5.548123e+05 6.130767e+05 4.246770e+05 9.880866e+05 2.260275e+05 4.306177e+05 4.784691e+05 5.025487e+05 5.900413e+05 4.750766e+05 4.383506e+05 5.936703e+05 8.490589e+05 6.166049e+05 7.645851e+05 6.591076e+05 4.598717e+05 9.649260e+05 3.253099e+05 4.598393e+05 6.980365e+05 3.075734e+05 5.462954e+05 3.615939e+05 3.619590e+05 809.674_1.795 6.805928e+05 5.575307e+05 6.606988e+05 4.687514e+05 3.184546e+04 4.258761e+05 4.057556e+05 3.343145e+05 44981.00 7.920585e+05 4.695056e+05 2.531313e+05 45002.62 7.625880e+05 5.149094e+05 3.947851e+05 6.491575e+04 6.510099e+05 5.831047e+05 5.637334e+05 1.019839e+05 5.421035e+05 2.875694e+05 1.347841e+05 60295.475 5.700749e+05 5.039505e+05 5.202906e+05 4.735416e+04 5.446576e+05 5.064954e+05 5.038498e+05 59114.10 4.609871e+05 6.052779e+05 6.828289e+05 6.718563e+04 5.650318e+05 2.224361e+05 3.122796e+05 6.171899e+04 8.374884e+05 3.725710e+05 4.550867e+05 2.842515e+04 5.579189e+05 5.760627e+05 7.072858e+04 5.816215e+05 4.658629e+05 1.308746e+05 5.501494e+05 5.725437e+05 4.540962e+05 3.307832e+05 8.128925e+04 6.964080e+05 6.545124e+05 3.822002e+05 5.674441e+05 8.705265e+05 1.153630e+06 8.856908e+05 1.827387e+06 4.484791e+05 4.614158e+05 4.129877e+05 4.519951e+05 1.036141e+06 6.912198e+05 6.239996e+05 8.831368e+05 7.933230e+05 8.940902e+05 3.354165e+05 6.014366e+05 6.280106e+05 8.816108e+05 3.392444e+05 7.066154e+05 8.777332e+05 1.155257e+06 5.083857e+05 1.501950e+05 9.010197e+05 9.839821e+05 3.738418e+05 7.231097e+05 8.965581e+05 8.884004e+05 2.861526e+05 4.220846e+05 4.682174e+05 1.225692e+06 2.942197e+05 2.148485e+05 1.997621e+05 1.372028e+06 8.340255e+05 4.778774e+05 8.843555e+05 5.357867e+05 1.030436e+06 4.347908e+05 4.465861e+05 4.601831e+05 4.796478e+05 5.543696e+05 1.351847e+06 9.992930e+05 3.928857e+05 2.355326e+05 1.682353e+05 3.133562e+05 3.646186e+05 8.928849e+05 3.497022e+05 7.568292e+05 4.547135e+05 6.988152e+05 5.629784e+05 1.321788e+05 3.175669e+05 4.498289e+05 6.604236e+05 7.741382e+05 4.020610e+05 1.139796e+05 8.189888e+05 2.916929e+05 8.703757e+05 5.108920e+05 6.163488e+05 9.186498e+05 1.033270e+06 7.368301e+05 5.044887e+05 5.694653e+05 6.471548e+05 3.006100e+05 8.919505e+05 3.175886e+05 6.230073e+05 5.581270e+05 5.804878e+05 4.956032e+05 1.273747e+06 1.057046e+05 1.961981e+05 3.316099e+05 1.420636e+06 1.832928e+05 4.715000e+05 9.147570e+05 5.788599e+05 3.299623e+05 5.849432e+05 5.913393e+05 1.907004e+05 8.319602e+05 8.431309e+05 3.810997e+05 4.262206e+05 4.092287e+05 5.959436e+05 4.448120e+05 4.347110e+05 4.571070e+05 8.707709e+05 3.165435e+05 9.187808e+05 2.791782e+05 9.099275e+05 6.587050e+05 5.758235e+05 5.993346e+05 2.422673e+05 7.866958e+05 7.004608e+05 5.840814e+05 1.817375e+05 3.908937e+05 6.428073e+05 7.969109e+05 1.050864e+06 3.433824e+05 1.630293e+05 1.267930e+05 2.944406e+05 4.857226e+05 1.031995e+06 4.102729e+05 1.939103e+05 7.146004e+05 3.910489e+05 1.172453e+06 1.520294e+05 1.460226e+05 1.052767e+06 5.151694e+05 3.708990e+05 8.762038e+05 5.395344e+05 3.745533e+05 8.056868e+05 4.184199e+05 8.802781e+05 8.362521e+05 6.533652e+05 3.989011e+05 2.263292e+05 1.578765e+05 6.803107e+05 2.117728e+05 5.864171e+05 3.653285e+05 1.199826e+06 1.315895e+05 4.937788e+05 2.604090e+05 1.405922e+05 1.574721e+05 8.001551e+05 5.779044e+05 1.549403e+05 3.083470e+05 6.371060e+05 4.735679e+05 5.040218e+05 4.920196e+05 4.946922e+05 6.181908e+05 6.377209e+05 4.234971e+05 1.774078e+05 3.488069e+05 2.881806e+05 7.368858e+05 1.947214e+06 6.120367e+05 5.758345e+05 9.799867e+05 8.117743e+05 4.528795e+05 6.554913e+05 5.767218e+05 3.531851e+05 2.235532e+05 5.843618e+05 5.422609e+05 1.171352e+06 3.489435e+05 1.099377e+06 1.131981e+06 1.561026e+05 2.812755e+05 4.359453e+05 2.079755e+06 5.479786e+05 1.355264e+06 5.186782e+05 3.022760e+05 C17 H20 N2 O5_1.795 1.503345e+05 2.792114e+06 6.206060e+06 6.775512e+06 6.567000e+04 3.990860e+06 7.742377e+06 9.539623e+06 55140.22 4.278744e+06 7.025502e+06 4.881486e+06 70593.97 2.770766e+06 5.987223e+06 6.104760e+06 1.818108e+05 3.435388e+06 7.145680e+06 7.805084e+06 1.831941e+05 2.530106e+06 5.930248e+06 1.205807e+07 121905.298 2.280620e+06 6.198164e+06 4.557832e+06 1.196571e+05 3.049963e+06 4.284807e+06 1.006858e+07 149677.40 4.328091e+06 7.643281e+06 4.815100e+06 1.746342e+05 4.684436e+06 6.809410e+06 5.517120e+06 1.677698e+05 3.594701e+06 5.188971e+06 1.098117e+07 9.021001e+04 3.501178e+06 4.668658e+06 5.989379e+06 4.627045e+05 5.490005e+05 5.353263e+05 1.855246e+06 3.127814e+05 2.948710e+05 1.803462e+06 1.432525e+06 2.116729e+05 8.924801e+05 1.095488e+06 1.076633e+06 5.740830e+06 2.777371e+06 1.046670e+06 9.635319e+05 1.755222e+06 5.421740e+05 7.554747e+05 1.931018e+06 6.243826e+05 9.149076e+05 4.091358e+06 2.195597e+06 1.012858e+06 1.139607e+06 9.528336e+05 6.982478e+05 1.343285e+06 3.919432e+05 3.260014e+06 9.177719e+05 6.212285e+05 6.255683e+05 5.787818e+05 1.162974e+06 1.940381e+06 3.785019e+05 4.408857e+05 1.742155e+05 3.292203e+05 1.018827e+06 1.543228e+06 9.058281e+05 3.237628e+05 5.266744e+05 9.051575e+05 8.991648e+05 3.647229e+05 1.990856e+06 1.217497e+06 1.482032e+06 6.245034e+05 8.130957e+05 9.208046e+05 6.586437e+05 9.057577e+05 9.551234e+05 2.505703e+05 2.769647e+05 2.755623e+07 6.431544e+05 5.703289e+05 6.412947e+05 2.593405e+05 9.589715e+05 1.097150e+06 3.939534e+05 3.227151e+05 6.337220e+05 4.552072e+05 3.722055e+06 6.360604e+05 5.605127e+05 2.365587e+05 2.350156e+05 3.544351e+05 4.099138e+05 5.107897e+05 5.094439e+05 9.383137e+05 3.150722e+06 7.046737e+05 1.664399e+05 4.177068e+05 1.327733e+06 1.014668e+06 7.402540e+05 1.033839e+06 3.983845e+05 2.118631e+05 1.792300e+06 5.067110e+05 3.246732e+05 7.318767e+05 6.123405e+05 5.353878e+05 5.773651e+05 8.718858e+05 5.824132e+05 1.693477e+05 4.673730e+05 5.955398e+05 4.231655e+05 1.708693e+05 1.422033e+06 2.726242e+05 4.625610e+05 1.157790e+06 1.522454e+06 1.964241e+06 1.346416e+06 3.260308e+05 9.779367e+05 5.532947e+05 2.414939e+05 5.179361e+05 2.456856e+06 1.339957e+06 9.066664e+05 3.206746e+05 6.893132e+05 1.925189e+06 4.647740e+05 6.686068e+05 5.010718e+05 5.674115e+05 8.680430e+05 1.246006e+06 8.735308e+05 7.200778e+05 6.026680e+05 2.200512e+06 3.204867e+05 3.090135e+05 7.046076e+05 4.210099e+05 7.240434e+05 8.816020e+05 7.428013e+05 2.730348e+06 1.097534e+06 6.770290e+05 1.981897e+05 5.461875e+05 2.912821e+05 6.061870e+06 1.108176e+06 3.848765e+05 1.360973e+06 1.418857e+06 1.289847e+06 1.557832e+06 5.129571e+05 3.120973e+05 1.793868e+06 5.516809e+05 1.697207e+06 1.732828e+06 2.949585e+05 1.835380e+06 1.295901e+06 1.783873e+06 7.222334e+05 3.264512e+05 9.411125e+05 3.161783e+05 1.010980e+06 8.737570e+05 1.450167e+06 2.786009e+06 2.657515e+06 9.702423e+05 7.710613e+05 1.344610e+06 6.482222e+05 8.650649e+05 2.815950e+06 1.214603e+06 4.437586e+05 5.843096e+05 4.697812e+05 2.478515e+06 3.326875e+05 3.418248e+05 7.436853e+05 3.885279e+06 5.303307e+05 7.065148e+05 3.897361e+05 7.803976e+05 8.723815e+05 1.675495e+06 6.485314e+06 6.973079e+05 1.206033e+06 1.328503e+06 4.816753e+06 1.954967e+06 3.508545e+06 5.261226e+05 7.918886e+05 3.688911e+06 2.176237e+06 1.671242e+06 1.146513e+06 2.962631e+06 7.809218e+06 1.408682e+06 6.991117e+06 3.050889e+05 3.203781e+05 1.250603e+06 6.464732e+06 4-Methoxybenzaldehyde_1.795 1.350745e+05 1.269070e+07 1.227128e+07 1.131602e+07 1.708969e+05 8.248824e+06 1.103629e+07 1.563902e+07 126594.38 8.913023e+06 1.216206e+07 1.158736e+07 109385.13 1.226343e+07 9.289581e+06 1.275615e+07 1.148643e+06 1.145330e+07 1.129715e+07 1.154109e+07 3.330575e+05 1.185827e+07 1.175802e+07 9.634871e+06 294579.466 1.115325e+07 1.262510e+07 1.423022e+07 2.648371e+05 8.790688e+06 1.149963e+07 1.333018e+07 268760.91 8.359985e+06 1.401062e+07 1.363332e+07 3.204351e+05 8.661282e+06 9.584397e+06 1.441782e+07 2.282004e+05 8.442638e+06 1.283762e+07 1.389190e+07 1.254531e+05 9.961188e+06 1.088731e+07 1.153158e+07 1.185099e+07 1.594965e+07 5.162536e+06 2.249239e+07 1.138260e+07 1.529291e+07 1.183610e+07 1.546627e+07 2.252682e+07 1.865849e+07 1.291136e+07 1.549849e+07 2.135259e+07 1.844932e+07 1.343533e+07 1.784420e+07 2.712673e+07 1.458561e+07 1.304252e+07 1.345223e+07 1.607087e+07 1.407205e+07 2.967370e+07 1.930671e+07 1.543695e+07 1.907509e+07 2.218582e+07 9.835568e+06 1.123651e+07 1.573354e+07 3.833993e+07 2.179229e+07 1.492291e+07 1.535184e+07 1.253752e+07 1.162722e+07 8.489831e+06 1.281389e+07 5.730030e+06 5.971532e+06 7.930456e+06 1.215583e+07 2.470096e+07 9.049537e+06 2.563016e+07 1.167537e+07 2.325515e+07 1.636178e+07 2.620776e+07 8.114385e+06 1.381802e+07 1.336826e+07 1.502985e+07 1.253255e+07 8.017081e+06 1.352816e+07 1.567159e+07 1.663859e+07 1.329419e+07 1.636412e+07 6.324521e+06 1.032782e+07 1.261765e+07 4.336762e+07 2.102507e+07 1.264683e+07 1.572257e+07 7.651901e+06 2.616062e+07 1.697766e+07 1.408863e+07 1.307338e+07 6.793354e+06 6.303171e+06 7.108370e+06 4.805587e+06 1.090527e+07 9.398344e+06 2.810972e+07 9.560660e+06 1.058880e+07 1.443381e+07 7.786964e+06 6.122606e+06 6.606938e+06 1.146552e+07 8.900902e+06 1.211397e+07 1.152646e+07 1.548525e+07 9.020245e+06 1.309822e+07 9.202915e+06 9.144743e+06 2.033695e+07 9.896424e+06 9.193823e+06 2.744619e+07 9.425614e+06 1.075189e+07 2.141354e+07 2.471553e+07 1.628559e+07 2.923233e+07 1.524802e+07 1.513283e+07 1.151036e+07 1.107816e+07 2.193434e+07 4.595712e+07 2.983440e+07 1.040707e+07 2.122641e+07 2.224752e+07 1.803635e+07 1.496586e+07 1.669791e+07 1.271914e+07 1.518337e+07 1.289323e+07 1.154319e+07 2.344620e+07 1.430466e+07 1.699906e+07 1.656875e+07 1.770623e+07 1.330725e+07 9.028049e+06 1.461476e+07 1.190765e+07 1.368463e+07 1.133791e+07 1.290135e+07 4.849715e+06 6.366550e+06 2.336054e+07 1.385299e+07 1.193398e+07 1.027404e+07 6.485774e+06 1.616818e+07 5.460166e+06 1.967605e+07 6.213060e+06 5.677557e+06 1.166151e+07 2.607158e+07 1.111898e+07 2.338535e+07 2.473855e+07 9.737826e+06 2.588129e+07 2.151618e+07 3.250285e+07 1.167878e+07 1.054845e+07 8.714522e+06 6.820881e+06 7.954256e+06 9.311046e+06 1.097471e+07 1.341775e+07 7.553017e+06 9.006319e+06 7.975946e+06 1.020021e+07 1.031341e+07 1.299690e+07 3.083793e+07 1.320426e+07 1.664157e+07 2.195164e+07 1.225607e+07 9.925112e+06 6.709926e+06 1.074879e+07 1.574130e+07 1.751697e+07 2.689567e+07 1.633166e+07 1.222772e+07 9.713436e+06 1.392178e+07 6.285091e+06 6.642781e+06 9.309872e+06 9.987641e+06 6.641015e+06 1.083963e+07 4.922509e+06 1.013359e+07 9.713507e+06 2.070954e+07 1.058119e+07 1.161083e+07 1.910727e+07 9.564379e+06 1.469727e+07 2.092011e+07 1.664620e+07 1.158247e+07 1.475494e+07 1.451097e+07 9.754428e+06 7.964187e+06 9.102305e+06 1.765193e+07 4.927362e+06 9.284403e+06 1.264935e+07 3.925086e+06 7.958928e+06 8.889798e+06 9.980066e+06 2-oxohex-4-enoic acid_1.795 3.658124e+05 2.150289e+07 1.943106e+07 1.611476e+07 1.125112e+05 1.176453e+07 4.510158e+07 1.592515e+07 148926.72 1.607936e+07 1.768139e+07 1.889900e+07 123308.53 1.477585e+07 4.377748e+07 9.458863e+06 2.666798e+05 2.889797e+07 2.240238e+07 6.917018e+07 3.812921e+05 6.114122e+06 2.448021e+07 2.966168e+07 236572.998 1.855230e+07 2.133765e+07 2.094191e+07 2.464466e+05 2.011506e+07 1.750326e+07 2.920967e+07 390759.45 2.128313e+07 1.886001e+07 1.999276e+07 3.363643e+05 1.475755e+07 2.168012e+07 2.000202e+07 2.189138e+05 1.619863e+07 2.569335e+07 1.670013e+07 9.030183e+04 3.119697e+07 1.576394e+07 1.610435e+07 1.027014e+07 1.061280e+07 9.705326e+06 1.404056e+07 1.458446e+07 1.538294e+07 1.264871e+07 1.639873e+07 2.238388e+07 1.944684e+07 1.386184e+07 1.422659e+07 2.656584e+07 2.083859e+07 1.590685e+07 5.359427e+07 3.850472e+07 8.834725e+06 3.906656e+07 3.804496e+07 1.748399e+07 1.559870e+07 1.429135e+07 3.175601e+07 6.385183e+07 2.802792e+07 1.124433e+07 3.468445e+07 5.220783e+07 2.155489e+07 8.159780e+05 1.014091e+07 1.251806e+07 1.698998e+07 1.360642e+07 1.288674e+07 1.519740e+07 1.470751e+07 1.416526e+07 8.646297e+06 4.897036e+07 2.252472e+07 1.590937e+07 1.174029e+07 2.100730e+07 3.265531e+06 4.440169e+07 1.633816e+07 6.332279e+06 1.248398e+07 1.953959e+07 1.114387e+07 1.175520e+07 1.830032e+07 2.151721e+07 5.659064e+06 4.077826e+07 1.985225e+07 1.605386e+07 2.084511e+07 8.775951e+06 9.553433e+06 3.236124e+07 3.870852e+07 2.754609e+07 2.627909e+07 1.413008e+07 1.234358e+07 6.403080e+07 4.263359e+07 1.561527e+07 1.586803e+07 1.169869e+07 8.158879e+06 2.436761e+07 2.350087e+07 6.780614e+06 4.161762e+07 3.721913e+07 1.468538e+07 1.102306e+07 1.228339e+07 3.717115e+07 5.645169e+05 1.838430e+07 4.403971e+07 9.805033e+06 3.476648e+07 4.160414e+07 6.888948e+06 2.017221e+07 3.159768e+07 2.238543e+07 8.466733e+07 7.992888e+06 1.343740e+07 1.013609e+07 2.822016e+07 1.510013e+07 1.823359e+07 2.109172e+07 2.153003e+07 1.319279e+07 1.801938e+07 2.201029e+07 1.348617e+07 1.935972e+07 1.423270e+07 2.051621e+07 1.588825e+07 2.102466e+07 1.532625e+07 1.913512e+07 2.111191e+07 1.395857e+07 7.519338e+06 1.959391e+07 9.803727e+06 2.328535e+07 1.224895e+07 8.981769e+06 1.278164e+07 1.337267e+07 1.542293e+07 1.494108e+07 1.448905e+07 1.014276e+07 1.409272e+07 2.492404e+07 2.419229e+07 1.819948e+07 3.144971e+07 3.616967e+07 3.407625e+07 1.852683e+07 2.625032e+07 3.121866e+07 3.522672e+07 1.941557e+07 1.892814e+07 6.390103e+07 1.900519e+07 3.774574e+07 2.481931e+07 2.676881e+07 3.386979e+07 4.693641e+07 2.139570e+07 3.058016e+07 7.653589e+07 4.215270e+07 3.295585e+07 5.985854e+07 1.093057e+08 3.375898e+07 1.873527e+07 2.130132e+07 1.581679e+07 3.055146e+07 1.779411e+07 3.805916e+07 1.303865e+07 3.037275e+07 2.803710e+07 2.296007e+07 3.253916e+07 1.999438e+07 7.005565e+07 2.819635e+07 2.355176e+07 2.274377e+07 2.638072e+07 2.224602e+07 4.306796e+07 1.676931e+07 1.984979e+07 3.667990e+07 2.853063e+07 8.784274e+07 1.305738e+07 4.512840e+07 1.947600e+07 3.461738e+07 2.467421e+07 3.308178e+07 3.027332e+07 8.734277e+07 2.433434e+07 2.634438e+07 9.515476e+07 1.877471e+07 1.469976e+07 2.747390e+07 1.327107e+07 2.730914e+07 2.075569e+07 1.593225e+07 1.229426e+07 2.238366e+07 1.754119e+07 4.525464e+07 2.118396e+07 1.504033e+07 1.660050e+07 1.230757e+07 1.374549e+07 1.638293e+07 8.348192e+06 7.216475e+06 1.285548e+07 1.571692e+07 3.771756e+07 1.560959e+07 2.163332e+07 1743187_1.796 2.031975e+05 1.381699e+07 3.420492e+07 1.151041e+07 9.086835e+04 9.531324e+06 1.506149e+07 1.412881e+07 249444.22 1.333855e+07 3.188128e+07 1.606766e+07 297555.44 1.285763e+07 1.550721e+07 2.126996e+07 5.040252e+05 1.418863e+07 2.018962e+07 3.684735e+07 3.767831e+05 7.916058e+06 1.961745e+07 2.567771e+07 266959.209 9.342585e+06 1.601159e+07 2.389502e+07 1.771436e+05 1.429996e+07 1.595459e+07 2.136150e+07 260371.79 1.846356e+07 9.381178e+06 1.918491e+07 2.880656e+05 1.636315e+07 1.947772e+07 1.412322e+07 5.866800e+05 1.728853e+07 1.488345e+07 2.736572e+07 1.235384e+05 1.273225e+07 1.462399e+07 1.793205e+07 8.653793e+06 1.051481e+07 2.365889e+07 1.376910e+07 1.749003e+07 4.169371e+06 1.627136e+07 1.393527e+07 2.576663e+07 1.644859e+07 4.092307e+07 1.539458e+07 3.660471e+07 2.238053e+07 1.779309e+07 3.985087e+07 1.472975e+07 7.097117e+06 1.802178e+07 3.568386e+07 2.378745e+07 2.280020e+07 3.460800e+07 3.025311e+07 5.449116e+07 2.475868e+07 5.005300e+06 5.052128e+06 3.625931e+07 1.905648e+07 2.260006e+05 3.616670e+06 2.203899e+07 1.625991e+07 1.015857e+07 1.331553e+07 1.410214e+07 1.955598e+07 8.939994e+06 8.093635e+06 1.071445e+07 1.821145e+07 1.552500e+07 1.433256e+07 1.685899e+07 7.942443e+06 1.619167e+07 1.649202e+07 3.488846e+07 2.034060e+07 1.835747e+07 1.438904e+07 1.286977e+07 3.194332e+07 2.627494e+07 3.593254e+06 1.132060e+07 1.176849e+07 1.356709e+07 4.084326e+07 9.378253e+06 6.686762e+06 9.851669e+06 1.975926e+07 4.326004e+07 9.703022e+06 1.202371e+07 1.094234e+07 2.951376e+07 2.624503e+07 3.049024e+07 1.382756e+07 2.416216e+07 4.162653e+06 2.317692e+07 1.795149e+07 6.669476e+06 2.401965e+07 1.169997e+07 1.303239e+07 1.075936e+07 1.002994e+07 3.804028e+07 5.734428e+05 3.571521e+07 3.485412e+06 1.112948e+07 1.771130e+07 3.152610e+07 1.057325e+07 1.912703e+07 3.639771e+07 9.378521e+06 1.363308e+07 1.442002e+07 9.298873e+06 2.138246e+07 1.301330e+07 1.482280e+07 9.310769e+06 1.833573e+07 4.773128e+07 1.333361e+07 1.570963e+07 5.523716e+07 1.588948e+07 1.676383e+07 1.103170e+07 1.373757e+07 1.492963e+07 2.287328e+07 1.362548e+07 1.437911e+07 1.153243e+07 1.081556e+07 7.986914e+06 1.615372e+07 1.013449e+07 2.537940e+07 9.071759e+06 8.986626e+06 2.162380e+07 1.116386e+07 1.320320e+07 1.541164e+07 1.210522e+07 1.041059e+07 1.117555e+07 1.766734e+07 2.275373e+07 1.614637e+07 1.857770e+07 2.784328e+07 1.761990e+07 2.228230e+07 2.539565e+07 2.378200e+07 2.245047e+07 1.708691e+07 3.744071e+07 6.196014e+07 2.237653e+07 2.947432e+07 1.075213e+07 1.775292e+07 3.112232e+07 1.757330e+07 1.937203e+07 2.660922e+07 3.042796e+07 2.162516e+07 2.958795e+07 5.746428e+07 4.201261e+07 1.271354e+07 1.658410e+07 3.276020e+07 1.788739e+07 2.668486e+07 1.444793e+07 3.389225e+07 1.340059e+07 2.558041e+07 2.481159e+07 1.586653e+07 1.478217e+07 3.804776e+07 5.735846e+07 7.052116e+07 2.372859e+07 2.472114e+07 2.329937e+07 1.982665e+07 1.647154e+07 1.328148e+07 2.196653e+07 2.849817e+07 2.467157e+07 5.668259e+07 2.151104e+07 5.020561e+07 1.780824e+07 3.124179e+07 2.616617e+07 2.862068e+07 5.309841e+07 2.782498e+07 1.936250e+07 2.172896e+07 2.200680e+07 2.009739e+07 1.232596e+07 1.689733e+07 1.430922e+07 2.167847e+07 1.703020e+07 1.326180e+07 1.080255e+07 2.973781e+07 1.262864e+07 3.292238e+07 1.782530e+07 1.077522e+07 1.127595e+07 1.045228e+07 2.848504e+07 1.363651e+07 8.408313e+06 6.481299e+06 9.497847e+06 3.482680e+07 3.357833e+07 1.082171e+07 5.415035e+07 CORTISOL 8.249532e+06 2.648585e+06 2.641849e+06 2.007967e+06 4.588448e+04 1.753135e+06 2.246419e+06 2.564693e+06 43525.35 2.191390e+06 2.776039e+06 2.621797e+06 40957.34 2.080795e+06 2.133632e+06 2.148783e+06 6.495419e+04 2.191358e+06 2.262662e+06 2.741074e+06 1.011951e+05 2.027087e+06 2.562439e+06 3.119811e+06 63738.065 1.733394e+06 1.905438e+06 2.380206e+06 6.572241e+04 2.051528e+06 2.468276e+06 2.912647e+06 88662.49 1.776438e+06 2.783858e+06 2.113104e+06 9.515812e+04 2.028891e+06 2.776612e+06 2.418022e+06 7.529862e+04 1.691863e+06 2.205315e+06 3.170905e+06 4.127935e+04 1.990263e+06 2.375457e+06 2.178877e+06 1.242155e+06 3.965786e+06 1.461336e+06 3.480150e+06 6.705423e+05 1.231180e+06 2.342511e+06 1.301685e+06 1.852028e+06 2.977124e+06 5.313309e+06 3.722168e+06 7.102221e+06 5.496233e+06 7.077132e+06 5.035521e+06 3.903974e+06 1.998697e+06 2.081709e+06 3.116378e+06 3.645327e+06 3.231249e+06 2.182099e+06 4.905520e+06 6.891617e+06 2.063218e+06 1.902912e+06 2.268321e+06 1.062938e+06 2.954473e+06 2.652345e+06 1.825904e+06 1.088714e+06 4.204028e+06 6.625932e+05 1.896907e+06 1.538793e+06 1.922062e+06 1.973035e+06 1.639201e+06 2.730130e+06 6.053023e+06 1.826811e+06 1.242557e+06 1.717286e+06 1.006689e+06 1.312586e+06 2.135304e+06 2.237081e+06 1.848410e+06 1.090093e+06 3.070611e+06 2.566697e+06 2.078883e+06 1.494008e+06 1.590701e+06 6.300934e+05 4.714444e+06 1.487944e+06 1.492116e+06 1.399618e+06 3.208894e+06 4.483835e+06 3.679920e+06 4.610147e+06 1.314377e+06 8.700747e+05 2.620787e+06 4.633010e+06 4.901608e+06 8.508370e+05 3.157289e+06 1.466980e+06 3.742747e+05 1.390059e+06 3.504335e+06 2.898278e+06 2.883341e+06 6.597452e+06 8.898202e+05 1.159332e+06 1.842555e+06 3.348333e+06 2.322705e+06 1.735814e+06 1.173293e+05 2.263646e+06 6.400514e+06 1.427274e+06 3.022726e+06 1.177875e+06 3.546167e+06 9.257819e+05 2.562020e+06 1.241992e+06 9.274309e+05 1.965874e+06 1.723488e+06 3.465042e+06 1.587062e+06 2.912681e+06 1.194270e+06 1.437829e+06 1.888201e+06 6.516787e+05 2.177567e+06 2.138561e+06 1.051692e+06 2.039419e+06 4.170063e+06 3.775536e+06 4.764795e+06 4.377506e+06 4.919885e+06 1.655869e+06 8.970670e+05 2.428054e+06 1.816376e+06 3.722517e+06 1.713410e+06 2.871113e+06 1.782765e+06 2.156621e+06 4.551203e+06 2.060903e+06 1.838345e+06 9.615786e+05 9.849186e+05 2.363201e+06 3.813389e+06 5.178932e+06 1.359152e+06 1.687565e+06 2.456827e+06 4.553478e+06 9.033497e+05 5.921882e+06 1.608954e+05 5.949471e+05 1.053781e+06 1.211367e+06 3.046823e+06 2.002066e+05 2.014675e+06 1.564850e+05 1.563684e+06 3.271569e+05 1.249589e+06 2.933591e+06 2.624085e+06 1.472097e+06 8.080188e+06 9.212253e+05 1.491862e+06 1.563246e+06 1.159816e+06 1.888597e+06 3.893174e+06 7.454139e+05 1.601580e+06 3.172569e+06 3.405026e+05 2.178782e+06 1.367667e+06 1.485011e+06 2.273113e+06 3.683016e+05 1.688096e+06 3.252037e+06 1.555645e+06 6.506450e+05 1.401728e+06 1.661498e+06 6.822587e+05 4.581562e+06 2.446674e+06 1.717158e+06 1.653091e+06 4.831708e+05 2.984511e+06 2.201799e+06 5.127954e+06 1.850515e+06 1.305698e+06 3.031239e+06 3.289866e+06 1.406114e+06 2.096375e+06 1.564409e+06 4.863541e+06 4.096170e+06 6.058151e+06 9.262498e+06 3.790761e+06 3.284986e+06 6.115056e+06 2.117711e+06 2.102238e+06 6.250251e+06 5.372655e+06 3.517616e+06 4.056749e+06 1.581358e+06 3.625519e+06 3.056170e+06 2.753247e+06 5.226409e+06 6.187968e+06 2.519205e+06 2.906419e+06 3.845439e+06 1.457218e+06 1.959006e+06 2.696802e+06 C15 H31 N O9_1.797 5.549285e+04 4.408034e+05 3.295254e+05 1.861543e+05 6.540862e+04 5.030396e+05 2.504777e+05 3.513359e+05 81089.56 5.291135e+05 3.624109e+05 2.502415e+05 79747.45 3.550743e+05 3.657109e+05 1.872621e+05 1.576838e+05 4.498981e+05 3.760977e+05 3.634109e+05 1.759317e+05 2.774343e+05 4.247736e+05 4.975595e+05 103920.142 2.947545e+05 3.626737e+05 3.220737e+05 1.003930e+05 2.579661e+05 2.028472e+05 5.121671e+05 128497.84 1.939608e+05 3.566460e+05 3.405680e+05 1.353824e+05 3.047201e+05 2.113281e+05 1.987800e+05 1.122082e+05 2.207570e+05 3.519093e+05 4.361461e+05 6.126397e+04 4.672512e+05 2.356472e+05 2.318640e+05 3.569579e+05 3.076935e+05 2.943177e+05 3.138763e+05 3.331432e+05 4.462822e+05 1.723730e+05 2.908141e+05 1.850296e+05 2.597831e+05 5.205833e+05 3.303832e+05 4.682036e+05 2.129360e+05 2.694584e+05 2.212632e+05 2.671946e+05 8.789225e+05 2.219629e+05 2.111775e+05 2.139358e+05 2.628844e+05 4.787648e+05 2.139398e+05 3.482019e+05 2.525940e+05 7.723379e+05 4.180372e+05 6.470601e+05 6.677397e+05 1.826034e+05 1.024470e+06 5.586076e+05 4.936967e+05 7.193383e+05 6.355158e+05 4.215928e+05 7.793643e+05 7.398742e+05 3.140091e+05 7.676602e+05 6.254155e+05 3.997192e+05 8.802821e+05 4.023856e+05 2.241608e+05 2.506468e+05 1.778065e+05 1.993370e+05 1.937394e+05 1.651887e+05 3.420907e+05 1.681803e+05 3.043524e+05 1.984812e+05 2.945307e+05 2.264339e+05 3.934976e+05 3.914908e+05 2.415988e+05 1.664386e+05 1.937723e+05 2.385188e+05 3.022958e+05 2.634287e+05 1.830788e+05 4.194696e+05 1.565425e+05 2.307684e+05 2.450763e+05 1.988091e+05 2.229510e+05 1.723986e+05 1.579150e+05 1.679337e+05 1.975224e+05 2.197965e+05 1.917227e+05 2.485671e+05 2.464456e+05 1.578755e+05 2.182211e+05 3.198879e+05 1.829425e+05 1.716493e+05 3.682952e+05 1.978673e+05 3.086784e+05 4.380976e+05 2.290970e+05 1.843244e+05 2.378804e+05 2.991997e+05 2.622810e+05 4.437487e+05 2.959978e+05 2.037905e+05 1.964708e+05 2.786421e+05 2.211358e+05 2.259788e+05 2.941019e+05 2.450349e+05 7.205843e+05 3.792649e+05 4.169690e+05 1.954826e+05 1.970838e+05 3.535908e+05 2.215981e+05 2.109121e+05 2.555847e+05 1.941053e+05 1.970632e+05 1.632697e+05 4.089680e+05 7.491313e+05 6.134784e+05 1.706247e+05 5.165505e+05 3.651977e+05 2.217451e+05 6.963815e+05 1.488208e+05 1.852979e+05 3.298092e+05 7.910827e+05 4.814131e+05 2.099880e+05 2.588338e+05 1.619773e+05 1.883372e+05 8.450906e+05 8.518615e+05 3.439090e+05 7.382957e+05 3.518742e+05 2.465964e+05 4.885100e+05 2.393791e+05 5.775178e+05 5.155111e+05 8.377032e+05 4.520905e+05 2.003426e+05 3.026687e+05 5.259190e+05 2.254938e+05 8.413350e+05 8.535011e+05 7.555277e+05 8.749431e+05 9.944550e+05 7.297564e+05 2.128060e+05 7.907188e+05 5.055957e+05 3.050711e+05 6.660173e+05 1.943865e+05 8.214362e+05 4.957425e+05 3.005584e+05 2.974926e+05 7.471171e+05 1.003208e+06 2.554396e+05 6.238971e+05 1.221503e+06 2.843890e+05 6.769389e+05 6.069569e+05 1.247659e+06 4.856782e+05 3.186705e+05 5.014719e+05 2.237235e+05 5.307031e+05 3.256341e+05 2.114706e+05 4.656556e+05 5.468623e+05 2.956330e+05 5.300964e+05 2.369896e+05 2.602237e+05 2.645039e+05 4.617520e+05 4.516535e+05 4.721948e+05 2.348518e+05 2.981499e+05 4.891641e+06 3.181632e+05 2.418955e+05 4.076348e+05 4.560481e+05 4.230653e+05 3.867068e+05 1.794609e+05 3.104198e+05 2.467168e+05 6.042752e+05 4.161244e+05 3.458975e+05 3.251105e+05 5.615652e+05 4.083611e+05 6.089870e+05 2.794763e+05 3.134574e+05 4.256505e+05 3.062280e+05 2.165699e+05 C17 H29 N5 O2_1.797 2.394417e+04 4.573027e+05 4.856044e+05 5.248939e+05 2.808929e+04 4.768632e+05 4.312934e+05 5.917401e+05 41215.74 4.643337e+05 4.266078e+05 4.777665e+05 48672.28 4.535988e+05 5.496524e+05 4.881498e+05 8.101553e+04 3.877339e+05 5.027109e+05 5.983161e+05 1.298942e+05 4.777852e+05 3.828644e+05 4.180889e+05 73506.151 5.524642e+05 4.401307e+05 4.303099e+05 6.282043e+04 6.223890e+05 5.686914e+05 6.094983e+05 91027.71 2.282550e+05 3.634119e+05 4.239888e+05 8.704852e+04 5.654269e+05 6.435536e+05 5.230813e+05 6.554051e+04 3.122313e+05 5.044451e+05 4.890975e+05 4.257295e+04 5.272083e+05 6.046299e+05 3.147469e+05 3.155565e+05 4.093715e+05 2.773907e+05 5.835732e+05 2.757389e+05 6.285100e+05 4.634925e+05 1.999600e+05 2.245408e+05 2.702345e+05 6.691779e+05 5.839711e+05 5.802823e+05 5.224898e+05 5.353516e+05 3.373493e+05 2.741965e+05 2.277229e+05 1.816533e+05 2.877215e+05 4.045459e+05 3.910339e+05 2.211753e+05 1.976690e+05 2.121220e+05 5.421198e+05 3.316865e+05 1.930128e+05 2.238650e+05 2.690811e+05 6.869032e+06 1.146076e+05 2.092219e+05 1.554234e+05 1.302593e+05 1.977441e+05 1.771849e+05 2.197431e+05 1.304077e+05 9.354580e+04 1.110526e+05 2.451646e+05 4.094691e+05 9.709628e+04 5.867435e+05 3.689021e+05 4.802427e+05 4.574705e+05 4.460491e+05 2.224330e+05 4.347850e+05 4.558876e+05 2.295756e+05 4.764667e+05 2.128054e+05 1.472862e+05 4.086971e+05 4.373078e+05 4.151767e+05 7.111466e+05 2.169545e+05 2.017955e+05 1.991268e+05 4.679760e+05 3.452021e+05 2.134444e+05 1.129952e+05 1.734562e+05 2.360819e+05 1.185239e+05 1.447224e+05 6.700675e+05 2.494680e+05 1.958924e+05 1.044651e+05 1.761753e+05 1.283269e+05 1.157406e+05 1.618719e+05 1.869240e+05 1.936883e+05 1.724312e+05 5.680989e+05 7.429089e+05 3.255918e+05 5.183842e+05 4.367494e+05 2.995848e+05 5.591244e+05 5.813184e+05 5.523190e+05 5.571856e+05 9.755588e+05 4.123990e+05 5.892261e+05 1.063927e+06 1.517427e+06 1.496865e+06 1.921147e+06 1.582236e+06 2.168908e+06 2.068864e+06 1.725385e+06 9.010435e+05 4.448404e+05 3.065244e+05 1.584140e+05 3.178696e+05 3.108031e+05 5.562303e+05 5.592136e+05 3.463155e+05 4.884450e+05 3.462099e+05 3.831002e+05 7.002341e+05 1.308220e+06 6.603658e+05 4.319408e+05 8.411794e+05 8.255090e+05 6.160923e+05 5.645971e+05 3.215995e+05 8.094710e+05 9.169670e+05 8.662831e+05 6.287663e+05 4.694692e+05 5.001886e+05 5.454519e+05 4.136001e+05 3.383003e+05 3.909925e+05 2.774684e+05 2.716348e+05 9.245343e+05 1.650861e+05 2.405761e+05 1.623497e+05 3.242888e+05 1.506541e+05 4.462588e+05 1.673503e+05 1.470130e+05 5.384492e+05 9.763129e+05 2.655880e+05 3.252285e+05 4.784088e+05 3.599399e+05 1.903747e+05 2.157389e+05 2.496732e+05 3.685993e+05 2.292986e+05 1.638279e+05 1.321098e+05 3.287640e+05 1.042292e+05 2.158740e+05 2.893284e+05 1.712480e+05 1.688462e+05 3.687534e+05 1.619310e+05 1.122955e+06 1.660075e+05 5.181097e+05 1.551635e+05 3.814643e+05 1.058471e+06 1.335384e+05 1.400041e+05 1.309094e+05 3.578496e+05 5.872164e+05 1.651962e+05 4.691727e+05 2.610521e+05 3.082291e+05 1.110548e+06 1.855632e+05 1.735525e+05 2.451112e+05 2.549766e+05 3.292335e+05 1.243137e+05 2.381126e+05 1.764643e+05 1.124338e+05 5.429337e+05 8.848386e+05 4.197558e+05 1.620118e+05 3.787959e+05 2.414437e+05 3.273329e+05 4.019858e+05 5.937426e+05 3.781279e+05 3.770631e+05 4.505453e+05 8.209912e+05 2.074061e+05 2.746572e+05 7.377710e+05 7.584904e+05 7.279393e+05 5.311074e+05 5.433773e+05 2.287358e+06 6.283546e+05 1.980203e+05 C11 H21 N6 O5 P_1.798 3.687291e+04 4.336711e+06 3.858158e+06 4.210975e+06 4.051812e+04 2.958769e+06 5.850716e+06 5.355898e+06 44725.53 3.413264e+06 4.263691e+06 4.582650e+06 51834.67 3.537635e+06 4.214174e+06 3.531035e+06 9.702924e+04 3.989152e+06 4.876353e+06 4.001429e+06 1.342996e+05 2.385979e+06 5.946960e+06 6.412859e+06 76526.107 2.557079e+06 4.433263e+06 3.604453e+06 8.070615e+04 3.830463e+06 4.179427e+06 5.742111e+06 124636.27 2.913900e+06 3.921126e+06 4.713405e+06 1.332371e+05 3.877731e+06 4.944728e+06 4.338258e+06 1.037928e+05 3.172135e+06 4.768135e+06 5.221065e+06 5.712981e+04 2.678237e+06 4.914706e+06 4.010234e+06 1.737182e+05 1.253302e+05 1.649764e+05 7.408312e+05 4.021472e+05 2.925457e+05 7.216262e+05 2.153159e+05 2.326025e+05 5.767468e+05 6.355520e+05 1.533931e+06 3.542116e+06 9.198873e+05 9.457030e+05 2.207437e+05 1.762863e+06 3.531587e+05 6.824120e+05 1.050545e+06 1.971556e+05 2.913041e+05 1.353379e+06 8.499068e+05 3.558644e+05 7.651696e+05 6.869949e+05 1.255347e+06 1.025887e+06 1.342111e+05 1.552144e+06 7.175898e+05 4.922823e+05 3.481630e+05 2.169371e+05 9.444569e+05 1.643490e+06 2.804505e+05 1.645542e+05 1.025082e+05 1.118134e+05 8.263737e+05 6.231005e+05 9.558045e+05 1.790511e+05 1.958781e+05 2.056317e+05 5.465783e+05 3.643514e+05 1.739954e+06 1.205103e+06 9.116050e+05 1.388565e+05 6.863589e+05 8.195602e+05 4.464004e+05 6.897492e+05 2.250107e+05 1.900491e+05 2.113887e+05 2.356646e+07 5.551238e+05 2.697301e+05 8.191928e+05 2.005340e+05 7.606930e+05 9.869472e+05 2.957332e+05 6.371331e+05 1.714211e+05 3.606828e+05 4.804503e+06 3.595710e+05 1.798816e+05 1.373172e+05 1.587385e+05 2.299969e+05 3.145407e+05 5.236728e+05 1.880641e+05 5.877815e+05 2.554099e+06 4.006228e+05 1.312363e+05 1.886194e+05 1.134770e+06 5.932199e+05 5.742197e+05 7.771521e+05 2.423848e+05 1.589908e+05 1.314551e+06 1.609300e+05 2.000933e+05 6.711715e+05 5.559255e+05 5.361098e+05 2.871396e+05 7.236810e+05 3.810049e+05 1.324276e+05 3.551300e+05 6.660546e+05 4.710443e+05 1.528116e+05 9.251575e+05 1.658538e+05 1.371921e+05 6.541118e+05 7.156608e+05 1.222160e+06 8.431092e+05 1.720986e+05 5.167665e+05 2.727938e+05 1.589939e+05 3.297826e+05 1.154261e+06 3.372303e+05 5.761757e+05 1.911479e+05 1.972565e+05 1.819951e+06 1.503307e+05 4.851158e+05 2.760620e+05 1.622414e+05 6.082429e+05 6.412253e+05 3.004744e+05 2.859848e+05 5.961061e+05 2.425438e+06 1.897220e+05 1.746552e+05 7.478378e+05 1.532166e+05 2.806838e+05 3.554125e+05 3.430573e+05 1.656935e+05 4.713810e+05 4.067046e+05 2.357302e+05 8.077477e+05 2.731029e+05 3.407085e+06 1.039241e+06 2.850805e+05 3.061781e+05 7.632683e+05 2.119947e+05 2.031370e+05 6.176332e+05 3.267803e+05 1.778364e+06 2.345010e+05 2.355040e+06 1.209223e+06 1.145084e+05 1.168084e+06 4.825374e+05 1.113075e+06 3.806887e+05 2.076813e+05 3.030913e+05 1.919852e+05 4.353568e+05 6.147175e+05 7.509230e+05 3.227730e+06 2.021460e+06 3.898739e+05 4.932753e+05 1.507568e+06 4.959403e+05 7.402237e+05 1.154506e+06 2.452973e+05 2.104723e+05 2.255674e+05 3.148291e+05 5.870054e+06 3.627001e+05 2.123924e+05 8.357723e+05 1.361817e+06 1.932631e+05 2.420470e+05 3.129004e+05 7.220745e+05 9.472292e+05 9.462607e+05 2.106761e+06 6.833183e+05 7.985893e+05 9.710733e+05 1.532908e+06 9.104360e+05 1.788440e+06 2.657166e+05 4.729316e+05 2.470495e+06 1.219389e+06 2.167553e+06 8.335094e+05 2.151534e+06 5.060244e+06 6.749022e+05 6.560926e+06 1.793194e+05 2.540372e+05 6.922480e+05 2.381079e+06 SALICYLAMIDE 1.301409e+06 6.141399e+05 5.531431e+05 6.979531e+05 8.482379e+04 4.161136e+05 5.833160e+05 5.954797e+05 89621.61 5.601747e+05 6.384147e+05 7.023546e+05 85397.27 4.774564e+05 5.536473e+05 6.230496e+05 2.804535e+05 5.493437e+05 6.127579e+05 5.003190e+05 3.718094e+05 4.694603e+05 5.991975e+05 8.143279e+05 125870.275 5.972637e+05 4.798979e+05 5.588151e+05 1.293510e+05 4.810378e+05 5.777592e+05 8.472824e+05 195786.74 3.923121e+05 6.462442e+05 5.282589e+05 2.246186e+05 5.717730e+05 5.708926e+05 4.195694e+05 1.785968e+05 3.080276e+05 7.309921e+05 7.512847e+05 1.263898e+05 4.379088e+05 6.488975e+05 4.781665e+05 6.408826e+05 7.402650e+05 5.251875e+05 5.604510e+05 6.497739e+05 3.098298e+05 5.838560e+05 5.643048e+05 5.081165e+05 4.715955e+05 2.411012e+06 2.407319e+05 5.229874e+05 1.034221e+06 5.944656e+05 8.923340e+05 5.494607e+05 6.718822e+05 7.977413e+05 3.202813e+05 5.089473e+05 3.282539e+05 3.246660e+05 6.990471e+05 1.334418e+06 3.570132e+05 5.986882e+05 3.274532e+05 9.731181e+05 3.788066e+05 7.710295e+05 9.720420e+05 5.562944e+05 4.364866e+05 7.195338e+05 7.176965e+05 3.483201e+05 5.262037e+05 5.638740e+05 3.955833e+05 3.719810e+05 1.199279e+06 7.214892e+05 3.434316e+05 3.284017e+05 1.045554e+06 3.995182e+05 4.734518e+05 3.188906e+05 6.736829e+05 2.920468e+05 3.413342e+05 5.505721e+05 4.869201e+05 3.171062e+05 3.057409e+05 6.788785e+05 3.704275e+05 4.014590e+05 6.584255e+05 4.945492e+05 5.766937e+05 2.373616e+05 3.878565e+05 6.437683e+05 1.751896e+06 6.976210e+05 2.866199e+05 9.312113e+05 5.135515e+05 4.738243e+05 1.076418e+06 3.794450e+05 2.923338e+05 3.248114e+05 4.710816e+05 1.000177e+06 5.184630e+05 3.185443e+05 4.863881e+05 3.049403e+05 5.909655e+05 4.363050e+05 9.330904e+05 8.567643e+05 4.422051e+05 6.073349e+05 6.048622e+05 5.446665e+05 3.234903e+05 3.020594e+05 3.619027e+05 2.662693e+05 4.030229e+05 5.276601e+05 5.944827e+05 5.706668e+05 2.908414e+05 3.079521e+05 3.442687e+05 2.424759e+05 5.853999e+05 5.112446e+05 4.529451e+05 7.636809e+05 3.866116e+05 8.418704e+05 8.055293e+05 4.673514e+05 6.788146e+05 2.815758e+05 2.552021e+05 5.413922e+05 6.170458e+05 4.056708e+05 5.463392e+05 3.068654e+05 4.208927e+05 2.529919e+06 6.747732e+05 2.873664e+05 1.944110e+06 1.041197e+06 4.737672e+05 5.178371e+05 2.076696e+05 8.021829e+05 3.962694e+05 9.935918e+05 5.873100e+05 4.184877e+05 3.359562e+05 7.762510e+05 3.772755e+05 8.414527e+05 3.498540e+05 6.327816e+05 3.654801e+05 2.353367e+05 5.287884e+05 9.802597e+05 9.694378e+05 1.058510e+06 1.169300e+06 3.277644e+05 5.907205e+05 5.888258e+05 2.627388e+05 1.227573e+06 4.834858e+05 7.062477e+05 5.664893e+05 3.508729e+05 6.231271e+05 4.175185e+05 3.434285e+05 3.060174e+05 3.483410e+05 4.645886e+05 2.547557e+05 7.713445e+05 2.848958e+05 3.172715e+05 1.004952e+06 4.442128e+05 3.421853e+05 8.927059e+05 4.547837e+05 1.322233e+06 8.434747e+05 5.240287e+05 4.431432e+05 3.622269e+05 4.180027e+05 5.216048e+05 6.219180e+05 5.567229e+05 4.336192e+05 6.487117e+05 7.665435e+05 3.249711e+05 4.530598e+05 2.979118e+05 7.410019e+05 9.067734e+05 5.251854e+05 6.438452e+05 5.783548e+05 4.208427e+05 3.881446e+05 2.321908e+06 9.593176e+05 6.984487e+05 1.180523e+07 5.082214e+05 3.265609e+06 2.572252e+05 4.655685e+05 4.849263e+05 2.617512e+06 1.058822e+06 5.182485e+05 6.324255e+06 6.578638e+05 6.145993e+05 1.124573e+06 4.436302e+05 4.820654e+05 4.587288e+05 4.291999e+05 5.854939e+05 4.736205e+05 3.593651e+05 6.194114e+05 C11 H21 N O4_1.799 3.533511e+04 3.465620e+05 2.469094e+05 3.254071e+05 4.041992e+04 2.088979e+05 2.657554e+05 1.304956e+05 50006.70 3.655991e+05 2.891627e+05 2.554358e+05 55548.97 2.784072e+05 2.870967e+05 1.655804e+05 2.088618e+05 3.371891e+05 1.757450e+05 2.567505e+05 1.494304e+05 3.846040e+05 3.244913e+05 1.821582e+05 86682.152 2.603893e+05 1.545520e+05 2.913935e+05 6.450197e+04 4.041708e+05 2.773517e+05 3.326923e+05 91136.07 1.387035e+05 3.080579e+05 1.941827e+05 1.252503e+05 2.792401e+05 2.984567e+05 2.916797e+05 1.071051e+05 1.860799e+05 4.226168e+05 2.583631e+05 5.846085e+04 2.964862e+05 2.722469e+05 1.834446e+05 1.814630e+05 1.773492e+05 1.728663e+05 1.928987e+05 2.708199e+05 1.658932e+05 2.315829e+05 2.329113e+05 1.459273e+05 2.710846e+05 2.569464e+05 1.485905e+05 2.426388e+05 1.840702e+05 2.376273e+05 2.202952e+05 1.899294e+05 1.703398e+05 2.322382e+05 1.954547e+05 2.272159e+05 2.073311e+05 3.790743e+05 2.703023e+05 7.103169e+05 3.766142e+05 1.201745e+05 1.279197e+05 1.715953e+05 1.989564e+05 7.644578e+06 1.824037e+05 1.836560e+05 2.074173e+05 1.726547e+05 1.441493e+05 1.252898e+05 1.822503e+05 1.703745e+05 1.070816e+05 1.287338e+05 1.445927e+05 2.775730e+05 1.248687e+05 2.738935e+05 1.121954e+05 3.231379e+05 3.219233e+05 1.854482e+05 1.890071e+05 3.171618e+05 3.285743e+05 2.619197e+05 1.945022e+05 1.240418e+05 2.909169e+05 3.034239e+05 2.753675e+05 1.732247e+05 1.387943e+05 1.053109e+05 8.980236e+04 1.099882e+05 3.402220e+05 2.231302e+05 1.655210e+05 1.621524e+05 9.132115e+04 1.813530e+05 1.773453e+05 1.175867e+05 2.467183e+05 2.044797e+05 1.689433e+05 1.555424e+05 1.205541e+05 1.774026e+05 1.862726e+05 1.230936e+05 2.023794e+05 1.422482e+05 1.403982e+05 1.458810e+05 4.083446e+05 1.610963e+05 1.124449e+05 1.025229e+05 2.049856e+05 3.146100e+05 2.196121e+05 1.403189e+05 1.599915e+05 2.794382e+05 3.979936e+05 1.812917e+05 2.149743e+05 3.667450e+05 3.450072e+05 8.688594e+05 5.285557e+05 3.634917e+05 4.251802e+05 5.655444e+05 2.563869e+05 2.397544e+05 1.586408e+05 1.558170e+05 2.127967e+05 1.891309e+05 1.359552e+05 2.484795e+05 2.258080e+05 2.321548e+05 1.412207e+05 1.205709e+05 2.364211e+05 2.508330e+05 1.202284e+05 1.660859e+05 2.094535e+05 1.724454e+05 2.825051e+05 1.442581e+05 1.396815e+05 1.718860e+05 1.345260e+05 2.449608e+05 2.454170e+05 1.360017e+05 1.889996e+05 1.494217e+05 1.738749e+05 1.837944e+06 1.894166e+05 1.816338e+05 9.286524e+05 2.422961e+05 1.949557e+05 1.242306e+05 1.789441e+05 9.210847e+05 1.950643e+05 1.338821e+06 1.567353e+05 2.876608e+05 2.114354e+05 2.009648e+06 2.032367e+05 2.657178e+06 2.029743e+06 1.335733e+05 8.425287e+05 8.893640e+05 9.093382e+05 2.310048e+05 1.503470e+05 1.311482e+05 1.517815e+05 1.762277e+05 1.520184e+05 2.405984e+05 2.417572e+05 1.803507e+05 1.884610e+05 1.400221e+05 1.606496e+05 2.901523e+05 1.950353e+05 7.821543e+05 2.312928e+05 2.944833e+05 5.057498e+05 1.573297e+05 1.605595e+05 1.394969e+05 2.103937e+05 2.067625e+05 1.897290e+05 2.538160e+05 2.131345e+05 2.450451e+05 1.408988e+05 2.066446e+05 3.016714e+05 3.090248e+05 1.820134e+05 2.044256e+05 2.276712e+05 1.515948e+05 1.888954e+05 1.521632e+05 1.501640e+05 4.281186e+05 1.222201e+05 1.738512e+05 3.214357e+05 2.983521e+05 2.722505e+05 2.276612e+05 1.213690e+05 3.205934e+05 3.954776e+05 1.323747e+05 1.124415e+05 2.569725e+05 1.224549e+05 4.160087e+05 1.334553e+05 1.217870e+05 1.585645e+05 2.764668e+05 5.685121e+05 1.377781e+05 3.828542e+05 cis-2-Carboxycyclohexyl-acetic acid_1.799 2.301203e+05 1.135808e+09 1.052318e+09 1.041201e+09 2.591666e+05 6.381741e+08 1.082176e+09 1.102613e+09 252105.62 9.824787e+08 1.014611e+09 1.069644e+09 231944.47 9.903258e+08 9.755828e+08 9.408185e+08 4.581305e+05 9.517891e+08 9.728792e+08 1.039433e+09 5.384195e+05 9.378151e+08 1.205827e+09 1.213475e+09 389101.488 8.552716e+08 1.167973e+09 1.976164e+08 4.459468e+05 1.197694e+09 1.298316e+09 1.513604e+09 558254.52 1.862762e+08 1.204961e+09 1.077026e+09 5.381725e+05 9.492310e+08 1.135310e+09 1.003522e+09 3.813099e+05 7.906425e+08 1.041527e+09 1.136175e+09 2.034216e+05 1.003853e+09 1.025541e+09 9.235094e+08 5.162956e+08 6.857606e+08 6.390664e+08 9.204958e+08 8.265614e+08 8.417262e+08 7.633286e+08 7.063212e+08 8.929601e+08 9.048708e+08 1.074818e+09 8.659220e+08 1.533914e+09 8.272890e+08 8.897655e+08 2.647869e+08 9.712775e+08 5.190794e+08 8.999093e+08 9.203993e+08 8.994288e+08 1.181632e+09 1.232061e+09 1.314662e+09 1.445112e+09 2.001828e+08 1.137842e+09 1.205065e+09 9.791645e+08 8.692974e+08 1.368225e+08 8.869144e+08 8.562200e+08 7.805382e+08 6.384495e+08 7.043816e+08 6.683812e+08 9.457435e+08 7.777595e+08 5.354912e+08 8.000430e+08 1.056301e+09 1.101249e+09 8.528128e+08 1.186022e+09 8.199654e+08 8.629835e+08 7.945753e+08 1.014088e+09 5.827034e+08 9.347506e+08 8.495576e+08 7.934078e+08 1.340287e+09 6.826334e+08 1.084806e+09 1.081485e+09 1.051561e+09 9.244985e+08 1.482908e+09 3.573675e+08 6.551813e+08 8.821158e+08 1.514992e+08 1.434846e+09 7.011728e+08 8.579630e+08 8.054785e+08 9.234260e+08 8.279487e+08 8.999995e+08 7.201828e+08 6.497375e+08 4.473561e+08 5.345559e+08 3.049287e+08 7.457944e+08 7.984840e+08 9.711579e+08 4.910777e+08 7.109672e+08 7.085298e+08 1.057161e+09 1.928613e+07 7.471755e+08 8.925366e+08 6.713749e+08 7.461160e+08 1.120615e+09 1.075449e+09 9.351953e+08 7.332048e+08 4.097586e+08 1.823628e+09 9.751219e+08 5.553169e+08 6.255725e+08 9.356227e+08 8.279503e+08 1.040652e+09 1.452318e+09 1.246757e+09 7.758215e+08 1.323575e+09 8.561503e+08 1.027392e+09 7.131912e+08 8.770647e+08 1.155331e+09 9.616450e+08 1.390111e+08 9.563698e+08 1.033630e+09 9.467376e+08 5.411558e+08 6.016229e+08 6.579825e+08 6.152479e+08 1.897822e+08 6.639010e+08 5.881416e+08 7.062201e+08 8.579543e+08 6.070328e+08 6.583408e+08 6.773791e+08 8.045221e+08 7.752693e+08 1.296734e+09 1.594019e+08 8.228792e+08 1.129150e+09 2.178042e+09 1.110724e+09 1.099922e+09 1.946346e+09 1.291150e+09 1.421455e+09 1.347278e+09 1.060301e+09 2.019128e+09 3.121847e+08 2.788220e+09 1.596758e+09 1.193983e+09 1.486267e+09 2.307187e+09 1.179123e+09 2.103009e+09 2.666677e+09 1.617644e+09 1.890997e+09 2.034134e+09 2.422131e+09 7.399121e+08 1.190571e+09 1.316459e+09 1.006014e+09 1.793733e+09 1.075970e+09 1.590930e+09 1.146877e+09 8.191010e+08 1.235222e+09 1.083326e+09 1.902375e+09 1.507671e+09 1.398859e+09 2.294863e+09 3.876697e+08 1.787107e+08 1.295595e+09 1.438492e+09 1.151055e+09 1.278939e+09 1.439037e+09 1.412977e+09 1.717003e+09 1.597791e+09 3.900110e+08 1.586778e+09 1.262808e+09 1.540367e+09 1.603623e+09 1.588109e+09 1.211057e+09 1.942924e+09 1.328081e+09 1.671304e+09 1.626721e+09 1.357263e+09 7.883816e+08 9.040005e+08 9.198673e+08 1.384558e+09 1.267616e+09 7.665483e+08 6.831206e+08 1.279201e+09 9.906050e+08 1.065305e+09 1.272506e+09 9.070399e+08 1.023625e+09 7.068895e+08 8.195407e+08 1.162662e+09 4.192159e+08 4.645253e+08 5.453892e+08 9.478849e+08 2.560237e+08 1.275618e+09 1.325444e+09 C6 H6 O2_1.799 7.992986e+04 9.067536e+06 8.772971e+06 7.171308e+06 5.351950e+04 6.047345e+06 2.037163e+07 7.364282e+06 94321.51 6.880317e+06 7.831665e+06 7.917731e+06 72388.93 6.641808e+06 1.930300e+07 6.841665e+06 8.490155e+04 6.926060e+06 9.625568e+06 8.478974e+06 1.563723e+05 7.881685e+06 9.443892e+06 1.222882e+07 102972.182 8.276301e+06 9.315911e+06 9.107905e+06 1.282336e+05 9.315238e+06 8.241140e+06 1.161230e+07 158760.97 8.850204e+06 1.104056e+07 8.240824e+06 1.408015e+05 7.535418e+06 9.836170e+06 8.253717e+06 1.056551e+05 7.234523e+06 1.194096e+07 7.408620e+06 4.857379e+04 1.536943e+07 6.524210e+06 8.561642e+06 6.238340e+06 5.108805e+06 9.510423e+06 6.941858e+06 5.815671e+06 8.533719e+06 5.036216e+06 7.661234e+06 8.490131e+06 7.768344e+06 8.798677e+06 6.726967e+06 1.034353e+07 2.454745e+06 6.958077e+06 1.328167e+07 9.091534e+06 5.574758e+06 8.038635e+06 7.956663e+06 8.075947e+06 9.604499e+06 9.046382e+06 1.266184e+07 3.182416e+07 1.113037e+07 7.893624e+06 7.779533e+06 7.485004e+06 8.720258e+06 4.277652e+05 7.496510e+06 5.708657e+06 6.720226e+06 5.747774e+06 5.568077e+06 6.414476e+06 7.563924e+06 7.423704e+06 3.796842e+06 7.465564e+06 1.004281e+07 6.963708e+06 5.700944e+06 9.557780e+06 5.732815e+06 1.491797e+07 7.294593e+06 1.004315e+07 4.181249e+06 7.015232e+06 4.850607e+06 5.604363e+06 7.654450e+06 6.542881e+06 7.711882e+06 9.972957e+06 9.385712e+06 5.867425e+06 1.125149e+07 3.756606e+06 3.630872e+06 4.780741e+06 1.089099e+07 1.191654e+07 4.600090e+06 6.587027e+06 5.653472e+06 1.004281e+07 5.478931e+06 6.667242e+06 9.619002e+06 5.881652e+06 5.078556e+06 1.147375e+07 1.003250e+07 6.171482e+06 8.511406e+06 6.940386e+06 7.025145e+06 4.879119e+06 5.272385e+06 8.328232e+06 2.762105e+05 7.554948e+06 4.333324e+06 4.257795e+06 6.534671e+06 7.640117e+06 8.965985e+06 9.644787e+06 5.703916e+06 2.325307e+06 4.070977e+07 6.508762e+06 4.774385e+06 4.647727e+06 3.786405e+06 1.034592e+07 7.050476e+06 9.839812e+06 1.296413e+07 6.219636e+06 6.277951e+06 8.876762e+06 7.517752e+06 7.290178e+06 6.231369e+06 8.839340e+06 7.696814e+06 8.385459e+06 7.088609e+06 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1.280854e+06 9.288026e+05 9.260197e+05 4.221186e+05 4.445809e+05 6.342268e+05 1.136672e+06 1.016066e+06 1.033490e+06 9.314279e+05 1.119946e+06 7.105791e+05 7.345235e+05 4.721869e+05 6.198561e+05 6.197557e+05 7.530693e+05 4.252199e+05 6.319629e+05 5.039406e+05 6.122498e+05 8.228267e+05 1.157336e+06 1.040190e+06 1.328094e+06 1.547794e+06 1.222178e+06 1.098731e+06 1.584385e+06 1.248994e+06 1.208785e+06 1.855294e+06 1.258069e+06 3.278423e+05 1.114107e+06 6.989520e+05 1.624821e+06 2.910334e+05 2.305947e+05 3.354304e+05 5.240148e+05 1.079145e+06 9.817425e+05 1.371916e+06 C14 H24 O5_1.8 1.744777e+05 1.186027e+07 9.457187e+06 5.093099e+06 1.088965e+05 6.172233e+06 9.537116e+06 9.919801e+06 99931.42 8.910290e+06 8.738718e+06 9.604768e+06 94163.21 7.477769e+06 8.578078e+06 8.224773e+06 1.452861e+05 8.662547e+06 8.813921e+06 9.195058e+06 2.184362e+05 7.205171e+06 8.937590e+06 1.142602e+07 135553.172 7.160865e+06 8.107670e+06 8.542569e+06 1.329365e+05 8.645039e+06 8.128879e+06 1.100238e+07 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5.928252e+06 4.637304e+06 1.336795e+07 4.020512e+06 1.158699e+07 8.011054e+06 4.275484e+06 8.316203e+06 2.349776e+07 6.020012e+06 1.415918e+07 1.504807e+07 4.499924e+06 9.400295e+06 9.819960e+06 1.416255e+07 4.601636e+06 4.573940e+06 5.436823e+06 4.063119e+06 6.365634e+06 3.123949e+06 7.128995e+06 4.789642e+06 2.891016e+06 4.862758e+06 3.948643e+06 5.182096e+06 2.293651e+07 6.370741e+06 1.677378e+07 4.218219e+06 9.224829e+06 2.369358e+07 5.874245e+06 4.495799e+06 3.049364e+06 7.960052e+06 9.696906e+06 8.256500e+06 7.755674e+06 6.153406e+06 5.957266e+06 2.045672e+07 6.423004e+06 6.705186e+06 5.405364e+06 3.692112e+06 6.086863e+06 5.027854e+06 5.899363e+06 6.243778e+06 2.679409e+06 9.805902e+06 2.022042e+07 7.234229e+06 8.556061e+06 9.419916e+06 5.478410e+06 6.243504e+06 7.293313e+06 5.569290e+06 7.332508e+06 1.031521e+07 8.559607e+06 9.237340e+06 4.844178e+06 7.526936e+06 1.834906e+07 1.002661e+07 1.211475e+07 6.657853e+06 1.117948e+07 1.173146e+07 9.380676e+06 6.317340e+06 C37 H62 N4 O8_1.801 1.104984e+05 8.790019e+05 9.449932e+05 1.029430e+06 1.262670e+05 6.004432e+05 9.159747e+05 1.039552e+06 140397.00 8.123424e+05 8.337552e+05 9.557302e+05 135666.16 8.843868e+05 7.215644e+05 1.096406e+06 1.562202e+05 8.362686e+05 8.810823e+05 1.104802e+06 3.174337e+05 5.588315e+05 7.886448e+05 1.033823e+06 183276.091 9.375619e+05 7.986502e+05 7.727587e+05 1.656298e+05 1.041179e+06 9.067988e+05 9.517428e+05 232238.97 7.919802e+05 8.446491e+05 8.159321e+05 2.423505e+05 9.600939e+05 8.991818e+05 8.246975e+05 1.803821e+05 7.777389e+05 9.782300e+05 9.245604e+05 9.990120e+04 9.475598e+05 1.100072e+06 5.966389e+05 3.342509e+05 3.121563e+05 2.774290e+05 3.151347e+05 3.401242e+05 3.086507e+05 2.748511e+05 3.757418e+05 3.274031e+05 3.859760e+05 3.631451e+05 3.479663e+05 4.303993e+05 3.305360e+05 3.572297e+05 3.976107e+05 3.222290e+05 3.045721e+05 3.163876e+05 3.388953e+05 3.434694e+05 3.477931e+05 4.503213e+05 4.157925e+05 4.704969e+05 4.619247e+05 2.999594e+05 3.060495e+05 3.706163e+05 3.986774e+05 2.892073e+05 3.160985e+05 3.841862e+05 1.454592e+06 3.139193e+05 2.796672e+05 2.741831e+05 2.937887e+05 3.077153e+05 2.495594e+05 2.803717e+05 3.821913e+05 3.259465e+05 3.179234e+05 3.436859e+05 3.007315e+05 3.596889e+05 3.154068e+05 3.087776e+05 2.879955e+05 3.347646e+05 2.809058e+05 3.028633e+05 3.275821e+05 2.780400e+05 3.418531e+05 3.570592e+05 3.406657e+05 3.170785e+05 2.238822e+06 2.361260e+05 2.373702e+05 2.910183e+05 4.470278e+05 3.738728e+05 2.788288e+05 3.613287e+05 2.747439e+05 5.140895e+05 3.018366e+05 2.799410e+05 3.570486e+05 2.627065e+05 2.871259e+05 2.387356e+05 3.157047e+05 2.757020e+05 3.145661e+05 3.541095e+05 4.091536e+05 2.526710e+05 2.738621e+05 3.383478e+05 2.316838e+05 2.946802e+05 2.733060e+05 2.408265e+05 3.122335e+05 3.828115e+05 3.033919e+05 3.930526e+05 3.332000e+05 2.582786e+05 4.598570e+05 3.701513e+05 2.608554e+05 2.694845e+05 2.784527e+05 2.894470e+05 2.881531e+05 3.811310e+05 4.504345e+05 3.384263e+05 3.611262e+05 3.369475e+05 3.834445e+05 2.924808e+05 2.878346e+05 3.446943e+05 3.865082e+05 4.268995e+05 3.285251e+05 3.192226e+05 3.434412e+05 3.184175e+05 2.856924e+05 3.126416e+05 2.762917e+05 2.856711e+05 3.198558e+05 2.903455e+05 2.947557e+05 3.467869e+05 4.456641e+05 2.677641e+05 3.037681e+05 3.215775e+05 3.208656e+05 3.214241e+05 3.259196e+05 3.222730e+05 3.739444e+05 4.840236e+05 4.701621e+05 3.924715e+05 5.310850e+05 3.931257e+05 3.955138e+05 3.585061e+05 4.083737e+06 5.249440e+05 4.000270e+05 5.058069e+05 1.608039e+06 3.630386e+05 3.905691e+05 5.982328e+05 3.833928e+05 7.080049e+05 5.007760e+05 3.507522e+05 4.800658e+05 5.603712e+05 6.326274e+05 3.388034e+05 4.054426e+05 3.999821e+05 3.440755e+05 4.219650e+05 1.267551e+08 5.391063e+05 4.267649e+05 2.559425e+06 4.190843e+05 3.140750e+05 4.251957e+05 4.881762e+05 5.014734e+05 5.619061e+05 4.346118e+05 5.063720e+05 4.368022e+05 6.418531e+05 4.276736e+05 8.723407e+05 1.503120e+06 8.222443e+05 5.806745e+05 1.157699e+06 2.296104e+06 1.615344e+06 4.688985e+05 8.998358e+06 4.316180e+05 4.745867e+05 3.960330e+05 4.439262e+05 4.280420e+05 1.647079e+06 1.366802e+06 4.160488e+05 2.885574e+05 3.604872e+05 3.754476e+05 1.448714e+06 4.170181e+05 3.165586e+05 3.732994e+05 3.708635e+05 3.101337e+05 3.878598e+05 5.742661e+05 3.696925e+05 2.973520e+05 5.751643e+05 2.906368e+05 5.472392e+05 2.346974e+05 2.419407e+05 2.806100e+05 4.056618e+05 4.099115e+05 3.270742e+05 4.905669e+05 C9 H10 O2_1.801 4.596499e+04 9.152164e+05 8.241915e+05 6.936547e+05 5.120087e+04 1.026617e+06 9.501608e+05 1.007139e+06 70465.12 8.349856e+05 7.557736e+05 9.081590e+05 56431.05 9.866808e+05 9.319916e+05 8.005318e+05 8.744192e+04 7.714984e+05 8.096779e+05 1.116171e+06 1.885822e+05 7.833311e+05 8.232334e+05 1.016861e+06 104066.084 9.129842e+05 8.322831e+05 9.475103e+05 7.888267e+04 8.409103e+05 6.488331e+05 9.532420e+05 118493.25 9.862551e+05 1.000341e+06 8.883264e+05 1.356882e+05 7.709413e+05 9.336756e+05 7.300362e+05 9.742091e+04 7.398788e+05 8.820971e+05 1.057878e+06 4.427827e+04 1.039834e+06 8.165417e+05 8.140001e+05 4.001102e+05 4.974126e+05 5.187406e+05 8.712407e+05 4.804621e+05 7.891589e+05 6.177302e+05 1.107807e+06 6.533448e+05 9.034590e+05 6.844575e+05 5.187641e+05 9.805218e+05 3.335934e+05 8.562000e+05 9.143905e+05 7.599290e+05 2.566967e+05 6.045925e+05 6.641693e+05 6.487580e+05 5.815866e+05 8.857926e+05 6.216505e+05 6.655303e+05 9.317570e+05 5.104873e+05 4.199544e+05 4.781443e+05 4.230702e+05 2.945043e+07 6.052817e+05 4.035672e+05 4.292218e+05 3.392164e+05 3.683010e+05 1.783921e+05 4.138195e+05 1.305384e+05 2.513903e+05 4.989250e+05 4.286241e+05 9.595359e+05 4.601403e+05 6.416130e+05 4.425847e+05 7.285243e+05 6.570193e+05 6.939844e+05 4.028316e+05 1.015508e+06 5.473529e+05 3.489086e+05 6.029622e+05 3.226839e+05 5.068211e+05 5.792068e+05 6.576856e+05 5.929237e+05 9.193250e+05 3.457697e+05 4.614033e+05 3.103222e+05 8.887195e+05 6.935444e+05 2.965413e+05 4.795411e+05 2.570107e+05 4.587829e+05 5.126354e+05 2.159636e+05 7.797057e+05 2.808015e+05 1.442144e+05 2.453101e+05 4.968758e+05 3.185510e+05 3.809537e+05 6.140943e+05 2.672731e+05 3.100396e+05 3.881193e+05 4.871480e+05 3.804834e+06 5.884004e+05 6.319936e+05 5.177749e+05 6.305458e+05 6.149868e+05 8.481086e+05 5.651844e+05 6.546783e+05 9.912173e+05 1.094091e+06 8.692488e+05 1.200168e+06 1.554370e+06 1.712919e+06 2.119615e+06 3.379575e+06 7.485095e+06 1.941661e+06 9.893058e+05 9.407523e+05 5.122145e+05 4.445142e+05 4.105070e+05 3.980164e+05 5.995776e+05 8.918867e+05 7.582410e+05 5.291703e+05 4.280772e+05 5.208906e+05 4.944982e+05 5.126451e+05 1.051640e+06 6.856329e+05 4.597839e+05 6.980095e+05 6.134124e+05 6.767518e+05 6.607993e+05 2.556577e+05 8.293365e+05 6.254179e+05 8.008954e+05 1.161897e+06 8.401603e+05 1.015952e+06 9.136521e+05 9.365606e+05 6.460733e+06 4.458334e+05 5.030063e+05 3.338886e+06 1.842472e+06 4.592160e+05 3.906592e+05 3.344308e+05 5.998300e+06 4.038951e+05 7.575256e+06 5.004599e+05 3.948474e+05 5.596408e+05 5.045061e+06 4.340694e+05 8.367925e+06 9.133080e+06 3.247985e+05 6.455373e+06 5.602064e+06 4.963706e+06 3.840760e+05 3.104657e+05 4.282816e+05 4.347931e+05 4.464861e+05 2.623354e+05 4.580421e+05 1.723808e+05 6.418185e+05 3.507016e+05 2.885409e+05 6.879625e+05 1.124794e+06 5.437140e+05 6.672430e+06 5.919566e+05 6.062974e+05 1.837460e+06 4.318701e+05 6.206594e+05 2.150603e+05 4.423469e+05 5.361166e+05 5.474291e+05 9.092153e+05 4.949645e+05 4.779397e+05 8.339438e+05 5.768890e+05 5.867375e+05 6.405621e+05 3.431659e+05 5.196003e+05 6.950109e+05 5.082338e+05 5.304637e+05 3.801325e+05 7.219955e+05 4.596162e+06 5.193863e+05 6.543925e+05 7.156967e+05 7.052651e+05 4.716044e+05 8.025734e+05 4.746071e+05 6.919012e+05 1.066665e+06 7.647578e+05 5.928134e+05 5.688056e+05 4.605480e+05 9.549284e+05 6.598706e+05 4.601207e+05 6.759560e+05 7.540991e+05 8.724272e+05 7.745813e+05 7.745538e+05 Homovanillyl alcohol_1.801 1.185731e+05 3.665692e+06 3.776753e+06 3.637682e+06 2.096119e+05 2.809669e+06 3.974957e+06 3.816741e+06 144304.68 3.286826e+06 3.501625e+06 3.940559e+06 124983.73 3.729438e+06 3.513794e+06 3.189876e+06 1.910046e+05 3.057704e+06 3.220910e+06 2.464264e+06 3.272945e+05 6.545381e+06 3.256509e+06 3.999608e+06 260052.396 2.488506e+06 3.399455e+06 3.590504e+06 2.167282e+05 3.276172e+06 3.063964e+06 3.181850e+06 234025.47 2.665999e+06 7.477758e+06 2.600923e+06 2.892255e+05 2.987385e+06 3.575538e+06 3.099556e+06 2.453099e+05 3.519409e+06 3.769464e+06 3.654336e+06 2.235424e+05 2.546397e+06 2.798571e+06 4.647992e+06 1.500271e+06 1.828845e+06 1.155710e+06 2.486851e+06 1.068174e+06 1.822526e+06 6.211307e+06 2.689684e+06 2.253302e+06 2.595690e+06 1.826166e+06 2.161783e+06 2.039765e+06 2.154357e+06 2.902195e+06 9.371570e+06 2.632886e+06 1.652254e+06 3.547113e+06 1.454422e+06 2.548263e+06 8.517349e+06 3.584289e+06 2.471990e+06 1.024538e+06 2.318327e+06 2.476194e+06 1.781226e+06 2.037666e+06 1.522642e+06 6.753623e+07 2.206417e+06 2.350539e+06 2.179581e+06 1.904667e+06 1.236666e+06 1.329127e+06 2.908530e+06 1.513412e+06 1.314165e+06 1.768033e+06 6.952599e+06 2.250689e+06 2.466110e+06 2.720402e+06 2.187528e+06 3.119563e+06 2.071146e+06 3.148859e+06 1.861114e+06 3.376869e+06 2.879837e+06 2.033629e+06 2.245961e+06 1.462214e+06 7.071217e+06 2.936173e+06 1.984485e+06 1.757641e+06 4.078436e+06 1.011791e+06 6.156784e+05 1.307523e+06 3.821697e+06 3.608524e+06 1.637313e+06 2.462632e+06 1.426444e+06 2.207104e+06 2.199213e+06 4.883299e+06 1.509739e+06 1.765815e+06 1.103421e+06 1.158646e+06 2.668182e+06 1.085337e+06 2.037348e+06 3.147913e+06 2.784599e+06 2.156467e+06 1.834846e+06 2.611627e+06 8.258038e+06 2.335253e+06 1.203133e+06 1.415754e+06 3.078546e+06 2.137151e+06 3.478519e+06 2.046307e+06 2.141235e+06 2.638569e+06 5.759568e+06 3.092844e+06 3.052471e+06 4.765842e+06 5.122593e+06 6.965759e+06 5.383809e+06 2.047973e+07 1.500470e+07 5.257399e+06 3.364022e+06 8.237788e+06 1.608964e+06 1.498883e+06 1.957896e+06 1.826498e+06 2.611004e+06 3.954758e+06 2.546432e+06 7.764317e+05 2.147378e+06 1.256416e+06 1.732828e+06 1.923890e+06 2.393890e+06 1.629100e+06 2.652779e+06 7.740652e+06 1.901311e+06 2.359131e+06 1.839062e+06 1.749499e+06 2.225515e+06 1.975475e+06 3.688586e+06 3.179606e+06 3.930889e+06 2.450016e+06 8.403758e+06 1.209722e+07 2.043744e+06 2.959840e+06 2.774816e+07 9.957280e+06 7.041601e+06 2.246019e+06 1.305357e+06 8.364231e+06 2.110148e+06 1.309299e+07 4.715951e+06 1.764613e+06 4.058831e+06 2.967901e+07 7.842771e+06 3.168724e+07 3.304588e+07 2.957782e+06 1.963428e+07 2.289616e+07 2.201475e+07 2.020467e+06 1.992692e+06 2.584928e+06 3.044495e+06 2.883320e+06 1.362088e+06 2.709420e+06 7.315350e+05 2.167463e+06 2.582642e+06 2.957994e+06 2.495911e+06 7.098639e+06 7.789889e+06 2.790786e+07 2.762422e+06 3.704187e+06 1.397914e+07 3.589238e+06 3.070523e+06 2.435616e+06 3.088282e+06 2.447961e+06 4.102069e+06 1.338630e+07 2.676063e+06 3.049873e+06 4.364732e+06 2.895091e+06 3.423761e+06 3.728753e+06 2.174096e+06 3.760643e+06 3.291006e+06 4.105017e+06 3.017306e+06 5.081676e+06 1.896188e+06 8.085918e+06 1.897926e+06 3.773456e+06 3.456080e+06 2.531479e+06 1.530481e+06 8.977655e+06 1.923055e+06 8.187452e+06 3.747398e+06 2.334938e+06 2.252387e+06 2.554421e+06 1.576959e+06 4.050163e+06 1.555162e+06 1.400177e+06 1.657193e+06 2.046115e+06 4.895376e+06 2.445565e+06 3.080879e+06 C11 H20 N2 O2_1.802 6.440478e+05 9.728355e+05 7.709658e+05 6.627292e+05 8.798220e+04 6.749359e+05 8.195721e+05 9.722956e+05 86180.17 8.026193e+05 6.648385e+05 8.880833e+05 90136.06 8.780290e+05 6.987656e+05 7.623511e+05 2.003110e+05 8.507800e+05 7.458911e+05 8.737978e+05 2.551324e+05 7.745486e+05 6.999209e+05 9.682762e+05 143687.933 7.960674e+05 8.258711e+05 7.886274e+05 1.449780e+05 5.575816e+05 7.809339e+05 1.057345e+06 199812.50 7.698580e+05 7.929046e+05 8.194929e+05 1.668413e+05 7.242044e+05 8.108613e+05 9.327910e+05 1.497352e+05 6.458369e+05 6.997139e+05 1.048970e+06 7.390774e+04 6.574306e+05 8.335461e+05 7.812454e+05 4.814154e+05 6.430350e+05 7.851696e+05 7.564044e+05 6.649908e+05 6.733577e+05 8.183559e+05 8.956509e+05 1.671134e+06 1.243969e+06 9.970434e+05 1.160427e+06 1.165201e+06 9.649294e+05 1.079970e+06 8.050892e+05 7.904606e+05 4.859549e+05 1.182703e+06 6.935700e+05 8.749381e+05 1.158622e+06 1.124911e+06 1.375892e+06 1.031013e+06 1.273793e+06 9.093212e+05 1.063558e+06 8.032005e+05 1.014872e+06 4.200861e+05 9.994255e+05 7.184569e+05 8.655309e+05 6.702925e+05 8.656401e+05 5.656905e+05 7.395877e+05 5.011842e+05 4.801723e+05 1.146424e+06 9.245762e+05 8.977060e+05 6.288473e+05 8.919984e+05 5.253569e+05 9.453402e+05 5.347040e+05 8.841217e+05 6.578441e+05 6.696461e+05 6.461302e+05 8.870946e+05 9.012962e+05 7.626972e+05 4.888077e+05 6.814738e+05 5.495794e+05 5.665095e+05 1.005760e+06 8.020669e+05 5.718906e+05 7.608965e+05 1.020706e+06 1.113217e+06 7.046664e+05 1.215363e+06 6.415571e+05 1.733265e+06 8.882961e+05 1.078059e+06 1.890914e+06 6.653787e+05 5.383649e+05 4.336242e+05 1.232472e+06 6.761585e+05 1.051509e+06 1.483349e+06 7.870786e+05 9.222515e+05 9.224477e+05 1.646120e+06 2.494989e+05 1.119501e+06 1.300949e+06 1.285396e+06 1.393249e+06 1.504510e+06 2.011772e+06 1.607411e+06 1.789205e+06 9.122970e+05 6.685955e+06 3.790694e+06 5.855084e+05 8.137162e+05 1.099301e+06 1.169239e+06 9.015255e+05 1.453063e+06 3.056529e+06 1.303488e+06 1.040423e+06 9.125018e+05 8.102663e+05 4.946145e+05 6.568977e+05 6.504527e+05 9.384539e+05 1.588982e+06 6.482205e+05 7.422887e+05 6.759730e+05 9.100202e+05 4.867956e+05 5.884928e+05 9.578193e+05 4.463305e+05 7.681736e+05 6.140136e+05 3.848382e+05 5.863223e+05 7.116171e+05 7.104241e+05 4.987545e+05 5.395019e+05 6.521710e+05 1.001370e+06 9.162305e+05 1.148478e+06 1.467201e+06 4.202459e+05 2.783890e+05 9.096906e+05 8.724799e+05 6.428377e+05 1.330238e+06 1.693470e+06 4.321995e+05 6.324749e+05 2.430477e+05 5.962684e+05 7.288848e+05 2.436512e+05 7.047840e+05 8.518917e+05 3.767159e+05 7.024841e+05 7.633119e+05 5.319897e+05 4.929040e+05 1.653327e+06 7.797385e+05 3.507977e+05 5.721220e+05 7.434158e+05 3.476196e+05 8.352833e+05 4.364907e+05 1.156069e+06 4.542391e+05 5.607599e+05 6.147234e+05 5.149328e+05 4.723154e+05 1.074175e+06 8.126886e+05 4.287265e+05 7.005476e+05 6.973460e+05 4.633506e+05 4.742220e+05 4.649424e+05 5.797974e+05 5.331463e+05 6.697061e+05 7.496046e+05 1.193167e+06 6.728684e+05 9.398755e+05 4.761188e+05 7.110570e+05 4.391659e+05 7.141240e+05 7.764821e+05 8.383397e+05 4.456094e+05 1.100611e+06 4.434868e+05 1.405117e+06 6.169965e+05 1.331923e+06 8.748625e+05 1.542030e+06 1.314374e+06 8.734118e+05 9.242124e+05 1.652101e+06 9.174966e+05 1.289614e+06 1.938216e+06 1.378698e+06 5.896815e+05 9.295364e+05 7.375054e+05 3.009881e+06 7.107675e+05 4.815609e+05 6.447151e+05 7.067978e+05 9.270762e+05 1.221417e+06 1.482659e+06 C14 H22 O4_1.803 1.041425e+05 1.331070e+06 1.325755e+06 1.202240e+06 4.947107e+04 8.814021e+05 1.309795e+06 1.478534e+06 53258.12 1.230325e+06 1.098202e+06 1.323132e+06 51836.17 1.238371e+06 1.275945e+06 1.111243e+06 5.590390e+04 1.006891e+06 1.260420e+06 1.004036e+06 8.779008e+04 8.371065e+05 2.452980e+06 1.349770e+06 54458.480 6.855010e+05 1.169619e+06 1.108541e+06 6.471452e+04 1.066519e+06 1.088948e+06 1.600736e+06 95598.75 1.104596e+06 1.373251e+06 1.095577e+06 1.062995e+05 1.235118e+06 1.456926e+06 1.157306e+06 8.859342e+04 9.628350e+05 1.240373e+06 1.342455e+06 4.646149e+04 1.103769e+06 1.570419e+06 1.019240e+06 1.038983e+06 9.312329e+05 7.375579e+05 1.172466e+06 7.494740e+05 1.380048e+06 1.075686e+06 8.324978e+05 7.244843e+05 9.275703e+05 1.326189e+06 1.325277e+06 1.421238e+06 1.272689e+06 1.028750e+06 1.117526e+06 1.057588e+06 6.998083e+05 8.424540e+05 1.142505e+06 1.061636e+06 8.218349e+05 1.367223e+06 9.160159e+05 1.493143e+06 1.236429e+06 7.281637e+05 7.246635e+05 7.973744e+05 5.937647e+05 1.273740e+07 9.269646e+05 1.118351e+06 7.769046e+05 6.039700e+05 8.322203e+05 4.757080e+05 7.522692e+05 6.304733e+05 5.242214e+05 5.221277e+05 5.468485e+05 1.306273e+06 8.164236e+05 3.962119e+06 1.046042e+06 1.428958e+06 1.077541e+06 1.395378e+06 5.812046e+05 1.184653e+06 1.213037e+06 7.932965e+05 1.223168e+06 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1.137029e+06 3.903001e+06 1.120680e+06 9.020332e+05 2.067336e+06 2.094784e+06 9.747657e+05 1.093211e+06 1.065140e+06 2.389485e+06 9.542507e+05 2.243197e+06 1.545725e+06 7.028077e+05 1.502361e+06 5.101745e+06 1.101536e+06 3.605434e+06 2.737421e+06 8.707724e+05 1.697290e+06 2.447964e+06 2.119186e+06 9.651935e+05 9.489329e+05 1.111499e+06 7.676644e+05 1.146710e+06 6.120559e+05 9.299558e+05 7.992609e+05 8.408929e+05 6.860421e+05 6.745043e+05 1.099121e+06 6.228883e+06 8.941945e+05 2.618660e+06 1.096243e+06 1.818128e+06 1.741954e+06 1.205558e+06 8.772907e+05 6.654418e+05 1.652388e+06 1.112725e+06 2.106621e+06 1.455746e+06 1.913581e+06 1.021902e+06 2.387837e+06 9.398222e+05 1.653555e+06 9.227276e+05 6.728900e+05 1.077945e+06 8.538832e+05 1.010251e+06 9.922152e+05 7.248572e+05 1.156429e+06 4.344131e+06 9.640570e+05 9.390469e+05 1.178441e+06 7.177240e+05 8.202324e+05 9.985208e+05 7.693335e+05 8.041025e+05 1.196331e+06 1.222338e+06 1.293220e+06 7.961780e+05 1.039374e+06 2.584061e+06 1.094041e+06 1.284930e+06 9.635416e+05 1.655128e+06 1.754267e+06 1.303186e+06 9.019085e+05 C14 H26 O6_1.803 1.735554e+05 1.363977e+07 1.108361e+07 7.472482e+06 1.505452e+05 7.264043e+06 1.143653e+07 1.156027e+07 142922.99 1.081234e+07 1.077616e+07 1.157354e+07 136148.37 8.924273e+06 1.015983e+07 1.007773e+07 1.796098e+05 1.043263e+07 1.044702e+07 1.114770e+07 3.173328e+05 8.726056e+06 1.087482e+07 1.369899e+07 199003.448 8.637548e+06 9.635255e+06 1.003653e+07 1.977386e+05 1.067634e+07 9.882094e+06 1.348671e+07 289339.31 8.012414e+06 1.074445e+07 9.765639e+06 3.130593e+05 9.939200e+06 1.189125e+07 1.062982e+07 2.380406e+05 8.354708e+06 9.561032e+06 1.329260e+07 1.264041e+05 1.028434e+07 1.148191e+07 8.602644e+06 5.699372e+06 6.860336e+06 5.480448e+06 8.844754e+06 5.104387e+06 1.507360e+07 7.546731e+06 3.869027e+06 8.360145e+06 8.134254e+06 1.033970e+07 7.912473e+06 1.260763e+07 7.603782e+06 1.014652e+07 7.824448e+06 8.939327e+06 3.747563e+06 5.817160e+06 9.375453e+06 9.207737e+06 7.748168e+06 1.123826e+07 8.868727e+06 1.057656e+07 1.243788e+07 4.315680e+06 6.010101e+06 4.947379e+06 5.275460e+06 1.614277e+08 5.947960e+06 5.386217e+06 4.615614e+06 3.850312e+06 4.607616e+06 3.143851e+06 3.572654e+06 3.001439e+06 2.385539e+06 3.254997e+06 4.254804e+06 7.727678e+06 4.287339e+06 1.337320e+07 7.241621e+06 8.945711e+06 8.369315e+06 9.414959e+06 3.099989e+06 9.199988e+06 8.381397e+06 4.406116e+06 8.751765e+06 2.869071e+06 6.447996e+06 7.915273e+06 8.441721e+06 6.158706e+06 9.718439e+06 5.182047e+06 2.503044e+06 3.655469e+06 1.122137e+07 9.928812e+06 3.814053e+06 4.681764e+06 3.448837e+06 4.554976e+06 4.415672e+06 3.107240e+06 1.072806e+07 2.512898e+06 2.072246e+06 2.039555e+06 2.815353e+06 2.980039e+06 3.150170e+06 6.286458e+06 2.205937e+06 3.766213e+06 3.484222e+06 9.403730e+06 1.832859e+07 8.151293e+06 7.966290e+06 6.991248e+06 6.029352e+06 1.181317e+07 1.255137e+07 9.389603e+06 1.072418e+07 1.779808e+07 1.396443e+07 1.069882e+07 2.163163e+07 3.010955e+07 3.077751e+07 3.155022e+07 3.497813e+07 5.381574e+07 4.702710e+07 3.154268e+07 1.620780e+07 9.982364e+06 7.931984e+06 6.181278e+06 8.670220e+06 1.285456e+07 1.336023e+07 1.466959e+07 6.919583e+06 6.433193e+06 7.576345e+06 6.514839e+06 1.263271e+07 2.080510e+07 1.298057e+07 4.409900e+06 1.429508e+07 1.039636e+07 1.032070e+07 1.452382e+07 4.976317e+06 1.487693e+07 1.448194e+07 1.778655e+07 1.598512e+07 1.000967e+07 1.031407e+07 1.140150e+07 9.813179e+06 2.282586e+07 7.750834e+06 5.721856e+06 1.316085e+07 2.248091e+07 7.433598e+06 6.786543e+06 5.213290e+06 1.521500e+07 4.799875e+06 1.341955e+07 9.567603e+06 5.104278e+06 9.876107e+06 2.748398e+07 7.132314e+06 1.547886e+07 1.632879e+07 5.373092e+06 1.106782e+07 1.058061e+07 1.545167e+07 5.362486e+06 5.348845e+06 5.966636e+06 4.639912e+06 6.863834e+06 3.456035e+06 8.704974e+06 5.793580e+06 3.537673e+06 6.076855e+06 4.433508e+06 5.882452e+06 2.903438e+07 7.501291e+06 1.806377e+07 5.002218e+06 1.076134e+07 2.905381e+07 7.241059e+06 5.331529e+06 3.634680e+06 8.770702e+06 1.174415e+07 8.443402e+06 9.173866e+06 6.541092e+06 6.757675e+06 2.450324e+07 7.441262e+06 7.698874e+06 6.649344e+06 4.201614e+06 6.889347e+06 6.155440e+06 6.806803e+06 7.649827e+06 3.182921e+06 1.192154e+07 2.427959e+07 8.820429e+06 9.910380e+06 1.119681e+07 6.744040e+06 7.795763e+06 8.784333e+06 7.093586e+06 9.426785e+06 1.235248e+07 1.010386e+07 1.151082e+07 5.821461e+06 9.340049e+06 2.176011e+07 1.232504e+07 1.510503e+07 8.101085e+06 1.307880e+07 2.533265e+07 1.140406e+07 7.172597e+06 C7 H5 N O_1.803 3.641611e+05 3.523314e+05 4.356234e+05 3.742229e+05 4.891963e+04 2.905767e+05 3.769855e+05 4.268404e+05 48826.36 4.307300e+05 3.716692e+05 4.128187e+05 48785.29 2.847265e+05 4.243603e+05 3.812731e+05 7.827013e+04 3.701785e+05 3.524023e+05 3.478872e+05 1.195706e+05 3.334809e+05 4.063477e+05 5.128129e+05 72066.770 3.434883e+05 3.883458e+05 3.285932e+05 7.442668e+04 2.859862e+05 3.607949e+05 6.935171e+05 109332.99 2.154315e+05 3.973201e+05 2.209487e+05 1.283614e+05 3.711725e+05 4.918807e+05 1.959522e+05 8.987571e+04 1.543512e+05 4.639610e+05 4.879471e+05 4.700702e+04 1.528680e+05 4.240867e+05 2.437941e+05 3.207212e+05 4.615758e+05 3.007453e+05 3.518456e+05 4.912319e+05 1.625129e+05 3.933873e+05 2.742768e+05 3.849113e+05 3.273563e+05 4.487757e+05 1.273641e+05 3.333626e+05 6.389577e+05 4.232358e+05 6.756423e+05 1.660552e+05 4.315393e+05 5.213906e+05 1.674712e+05 2.678879e+05 1.704504e+05 1.614179e+05 4.705379e+05 4.198293e+05 1.709785e+05 2.702606e+05 1.330181e+05 3.173915e+05 2.632326e+05 4.686044e+05 6.926750e+05 3.259907e+05 2.835607e+05 4.019924e+05 4.619993e+05 2.563654e+05 3.008901e+05 3.873090e+05 2.491509e+05 2.508152e+05 5.965237e+05 5.561886e+05 1.557870e+05 1.607390e+05 7.454156e+05 1.688755e+05 3.288414e+05 1.570993e+05 2.177538e+05 2.216454e+05 2.496668e+05 3.268384e+05 3.537128e+05 2.191790e+05 1.698544e+05 3.785494e+05 1.569181e+05 2.597474e+05 3.260807e+05 2.756920e+05 3.299764e+05 1.341220e+05 2.320545e+05 4.212455e+05 9.854803e+05 4.324889e+05 1.635843e+05 6.244102e+05 4.099656e+05 2.821829e+05 6.624277e+05 1.907448e+05 1.369631e+05 1.633932e+05 1.440204e+05 5.757451e+05 2.248376e+05 1.853849e+05 2.039424e+05 1.903328e+05 2.611587e+05 3.133516e+05 5.226080e+05 4.889349e+05 2.636445e+05 3.308459e+05 4.307586e+05 3.004447e+05 1.929618e+05 1.837780e+05 2.407448e+05 1.235998e+05 1.894804e+05 3.337394e+05 4.061520e+05 2.265915e+05 1.660340e+05 1.394989e+05 1.567989e+05 1.335155e+05 4.003692e+05 2.989199e+05 3.662914e+05 4.350696e+05 2.110516e+05 5.237505e+05 4.732059e+05 1.804906e+05 3.653997e+05 1.589970e+05 1.457915e+05 4.092485e+05 4.246817e+05 2.577986e+05 2.911956e+05 1.632229e+05 2.508222e+05 1.511070e+06 4.289022e+05 1.428033e+05 1.244111e+06 5.964048e+05 2.488440e+05 3.527399e+05 1.199432e+05 3.903363e+05 2.527601e+05 5.890883e+05 2.576147e+05 2.424407e+05 2.034094e+05 3.284876e+05 1.798734e+05 1.817297e+05 2.324479e+05 3.915502e+05 3.255502e+05 3.248871e+05 1.973931e+05 5.531120e+05 2.660435e+05 2.785663e+05 7.372552e+05 2.100128e+05 3.844114e+05 3.073769e+05 1.332999e+05 3.611866e+05 2.209209e+05 4.876385e+05 4.047023e+05 1.985142e+05 4.359978e+05 1.794882e+05 2.112016e+05 1.567537e+05 1.393665e+05 3.138168e+05 1.364730e+05 3.419680e+05 1.706624e+05 1.760092e+05 6.773787e+05 1.862178e+05 1.954968e+05 4.830420e+05 2.414653e+05 4.245555e+05 4.078042e+05 1.955450e+05 2.140982e+05 1.488951e+05 2.445361e+05 3.598706e+05 2.752154e+05 4.708083e+05 1.780971e+05 2.167862e+05 3.689612e+05 1.700024e+05 2.971682e+05 1.715145e+05 3.192577e+05 5.486878e+05 3.710868e+05 4.746995e+05 3.128051e+05 1.947601e+05 2.211493e+05 1.395597e+06 5.536540e+05 4.503586e+05 7.068317e+06 1.613580e+05 1.832255e+06 1.156184e+05 1.621138e+05 3.110699e+05 1.692648e+06 3.126461e+05 3.682258e+05 4.098713e+06 4.951493e+05 4.336755e+05 6.733933e+05 1.997583e+05 3.033314e+05 2.394050e+05 2.687828e+05 3.862291e+05 2.140838e+05 2.007396e+05 3.334558e+05 3-(4-Hydroxy-3-methoxyphenyl)-2-methylpropanoic acid_1.803 1.482643e+05 2.502181e+06 2.833474e+06 2.400749e+06 1.100359e+05 1.526980e+06 2.488876e+06 2.578277e+06 127493.93 2.159457e+06 2.284075e+06 2.197283e+06 115230.26 2.371646e+06 2.349202e+06 2.019199e+06 1.479596e+05 2.764390e+06 2.750401e+06 1.963995e+06 2.225119e+05 2.320314e+06 1.875217e+06 3.581622e+06 134618.476 1.493854e+06 2.859886e+06 2.261637e+06 1.355743e+05 1.690835e+06 3.083528e+06 2.640612e+06 221026.00 1.542754e+06 2.714208e+06 2.571270e+06 2.569971e+05 1.825824e+06 2.196063e+06 1.630072e+06 1.672858e+05 2.122001e+06 2.983416e+06 3.173067e+06 7.876171e+04 2.273795e+06 2.407599e+06 1.749501e+06 1.390585e+06 2.101747e+06 1.338181e+06 3.606016e+06 2.000601e+06 2.176678e+06 1.878443e+06 1.846609e+06 2.021031e+06 1.954209e+06 2.904881e+06 3.658765e+06 3.340128e+06 3.066542e+06 3.746869e+06 3.344958e+06 3.053807e+06 1.337287e+06 4.189357e+06 2.521911e+06 2.342338e+06 2.845732e+06 4.664090e+06 4.583689e+06 4.774807e+06 5.861804e+06 1.871745e+06 3.901915e+06 2.731384e+06 2.111995e+06 3.012309e+05 3.838953e+06 3.313753e+06 2.042232e+06 2.314370e+06 2.335549e+06 1.622594e+06 2.638351e+06 1.316083e+06 1.214952e+06 3.593288e+06 2.892477e+06 5.702298e+06 3.852231e+06 2.799443e+06 4.763022e+06 5.012072e+06 2.555728e+06 3.408178e+06 1.409435e+06 3.773418e+06 2.198580e+06 3.416973e+06 4.518357e+06 1.497008e+06 5.827975e+06 5.414317e+06 4.166001e+06 2.897668e+06 5.934318e+06 1.028780e+06 2.686651e+06 2.263766e+06 5.280627e+06 5.057668e+06 2.299301e+06 3.739435e+06 2.062170e+06 3.203986e+06 2.079584e+06 1.729153e+06 5.915147e+06 1.773726e+06 1.692184e+06 1.627332e+06 2.505405e+06 2.038278e+06 2.250888e+06 4.796002e+06 1.979026e+06 2.504005e+06 3.605126e+06 2.964766e+06 3.147564e+05 1.747258e+06 1.981730e+06 2.917791e+06 1.915419e+06 3.278458e+06 2.980955e+06 1.519671e+06 3.417737e+06 1.066087e+06 5.289348e+06 4.005616e+06 1.064980e+06 1.884444e+06 1.892097e+06 1.684947e+06 3.552270e+06 5.223429e+06 5.666087e+06 2.613755e+06 2.044823e+06 2.011461e+06 1.968630e+06 2.006436e+06 1.773695e+06 3.600265e+06 3.705925e+06 2.379339e+06 1.907618e+06 1.864377e+06 4.544111e+06 1.120058e+06 1.104144e+06 2.005742e+06 1.067056e+06 1.649294e+06 1.218677e+06 1.439278e+06 1.695301e+06 1.802753e+06 1.364770e+06 1.730443e+06 1.147003e+06 1.637245e+06 2.747561e+06 2.790193e+06 3.231750e+06 2.852675e+06 4.885531e+06 1.390013e+07 9.531743e+05 8.953257e+05 1.762298e+07 7.058925e+05 9.570054e+05 1.103480e+06 1.338123e+06 1.256323e+07 1.347115e+06 1.397532e+07 3.367303e+06 9.285444e+05 1.556494e+06 7.185851e+06 1.395427e+06 1.259638e+07 1.366747e+07 1.126270e+06 1.348031e+07 1.711945e+07 1.536678e+07 1.104453e+06 9.231185e+05 1.247227e+06 7.079029e+05 1.456174e+06 1.075657e+06 1.025225e+06 7.810970e+05 1.581776e+06 9.828876e+05 6.744826e+05 1.097884e+06 1.255844e+06 1.010424e+06 6.213451e+06 9.189572e+05 1.474342e+06 7.732279e+05 1.509152e+06 1.414866e+06 8.782239e+05 1.441315e+06 1.174827e+06 1.111089e+06 1.603821e+06 1.666194e+06 1.404530e+06 1.229254e+06 1.370726e+06 1.518513e+06 2.086614e+06 1.184597e+06 1.525375e+06 1.451566e+06 1.501428e+06 1.695078e+06 1.764066e+06 1.625265e+06 1.258080e+06 2.770266e+06 2.097099e+06 2.302260e+06 1.583764e+06 1.609450e+06 1.642736e+06 1.876283e+06 2.032510e+06 3.546809e+06 3.376340e+06 1.346687e+06 1.828391e+06 1.585116e+06 5.380283e+06 8.970868e+05 9.509602e+05 1.749687e+06 9.719824e+05 2.174711e+06 2.251404e+06 1.958885e+06 C8 H10 O3_1.803 2.066072e+05 1.168877e+09 1.084190e+09 1.072544e+09 1.961951e+05 6.555606e+08 1.113738e+09 1.135695e+09 176779.48 1.011873e+09 1.045037e+09 1.103061e+09 162784.77 1.020460e+09 1.007742e+09 9.754452e+08 1.341647e+06 9.868568e+08 1.010094e+09 1.076038e+09 3.663792e+05 9.647929e+08 1.221749e+09 1.185000e+09 233927.822 8.153861e+08 1.022561e+09 1.017278e+09 2.405898e+05 9.628436e+08 1.043878e+09 1.245019e+09 368979.33 8.840107e+08 1.077339e+09 1.034530e+09 3.367593e+05 9.297523e+08 1.156626e+09 1.039797e+09 2.585838e+05 8.175363e+08 1.081664e+09 1.180445e+09 1.523135e+05 1.037130e+09 1.059414e+09 9.486690e+08 5.357855e+08 7.111750e+08 6.614720e+08 9.512105e+08 7.079970e+08 7.657845e+08 7.915196e+08 7.290545e+08 9.294368e+08 9.450034e+08 1.030460e+09 8.996634e+08 1.249159e+09 8.583018e+08 9.265161e+08 1.085975e+09 1.005386e+09 5.405485e+08 9.336107e+08 8.127401e+08 9.416134e+08 1.070189e+09 1.273324e+09 1.368156e+09 1.493188e+09 1.208423e+09 9.433893e+08 1.016606e+09 1.017494e+09 8.970642e+08 7.851206e+07 9.063353e+08 8.813535e+08 8.155584e+08 6.472282e+08 7.341941e+08 6.959619e+08 9.835824e+08 8.021065e+08 5.539893e+08 8.185824e+08 1.045961e+09 9.014698e+08 8.734577e+08 1.020965e+09 8.514951e+08 9.007264e+08 8.249725e+08 1.052901e+09 6.033428e+08 9.689596e+08 8.795891e+08 8.276211e+08 1.078223e+09 6.384837e+08 9.559846e+08 1.010623e+09 8.491116e+08 7.858064e+08 1.192986e+09 3.105402e+08 5.326668e+08 7.148571e+08 1.216195e+09 1.252766e+09 7.317015e+08 8.838564e+08 8.270938e+08 9.365115e+08 8.509919e+08 7.313413e+08 6.742731e+08 6.733055e+08 4.643674e+08 5.571778e+08 2.414724e+08 7.750563e+08 8.052156e+08 1.012868e+09 5.029961e+08 7.303838e+08 7.322326e+08 9.379692e+08 9.720503e+06 7.726359e+08 7.165642e+08 6.925861e+08 7.733952e+08 1.158433e+09 9.888210e+08 8.552715e+08 7.409899e+08 4.256113e+08 1.597046e+09 1.006160e+09 5.018416e+08 6.435604e+08 7.556562e+08 8.558125e+08 8.408279e+08 1.470303e+09 1.166672e+09 8.081693e+08 1.062808e+09 8.715758e+08 8.917478e+08 7.392293e+08 9.006622e+08 1.044173e+09 1.034247e+09 9.045469e+08 9.835288e+08 8.763127e+08 8.741533e+08 5.662036e+08 6.265957e+08 6.293651e+08 6.415219e+08 5.277229e+08 6.903473e+08 6.097828e+08 7.236884e+08 8.863559e+08 6.397366e+08 6.844593e+08 6.379388e+08 8.304527e+08 7.973684e+08 1.059501e+09 1.036499e+09 8.629098e+08 1.162050e+09 2.225024e+09 1.140044e+09 1.136007e+09 1.969508e+09 1.301466e+09 1.232339e+09 1.387098e+09 1.091802e+09 2.068494e+09 1.101098e+09 2.217128e+09 1.629315e+09 1.081286e+09 1.477995e+09 2.338228e+09 1.206074e+09 2.146892e+09 2.149973e+09 1.293394e+09 1.945503e+09 2.075489e+09 2.467267e+09 7.379570e+08 1.231225e+09 1.352629e+09 1.034899e+09 1.529404e+09 1.109990e+09 1.601284e+09 1.181164e+09 7.532098e+08 1.206678e+09 1.016467e+09 1.522286e+09 1.539914e+09 1.443171e+09 2.352258e+09 1.509646e+09 1.505573e+09 1.266250e+09 1.482855e+09 1.183002e+09 1.068617e+09 1.489178e+09 1.435452e+09 1.761215e+09 1.655405e+09 4.060523e+08 1.647622e+09 1.298202e+09 1.548965e+09 1.653253e+09 1.341811e+09 1.254534e+09 1.612315e+09 1.307658e+09 1.716132e+09 1.401778e+09 1.392335e+09 8.148477e+08 9.036440e+08 9.491363e+08 1.245688e+09 1.314051e+09 7.933243e+08 7.156891e+08 1.064641e+09 8.216288e+08 1.097438e+09 1.318118e+09 9.445573e+08 8.203051e+08 7.296767e+08 8.464593e+08 1.205338e+09 4.340624e+08 4.806816e+08 5.565507e+08 9.739909e+08 1.538088e+09 1.023911e+09 1.371432e+09 C16 H35 N O7_1.803 4.274391e+04 5.453065e+05 6.339291e+05 5.579640e+05 4.939575e+04 3.619959e+05 5.884808e+05 6.520344e+05 57602.39 3.877951e+05 5.401765e+05 6.005543e+05 54753.77 5.208896e+05 5.721998e+05 4.727561e+05 6.057582e+04 4.644331e+05 5.792042e+05 4.494626e+05 1.069467e+05 5.787744e+05 6.000751e+05 7.328659e+05 65632.404 3.965853e+05 5.359563e+05 4.767819e+05 6.742951e+04 4.994064e+05 5.074207e+05 5.291998e+05 90135.75 5.555266e+05 5.707773e+05 5.698776e+05 9.014058e+04 5.373671e+05 5.217888e+05 4.308864e+05 7.183933e+04 5.988817e+05 6.138407e+05 3.715514e+05 4.085871e+04 7.321183e+05 3.547535e+05 6.311921e+05 2.651128e+05 4.206639e+05 1.138655e+05 1.805714e+05 4.173246e+05 5.425611e+05 2.891776e+05 6.331028e+05 1.669797e+06 1.654002e+05 2.775147e+05 6.869651e+05 2.345345e+05 5.774520e+05 2.647395e+05 3.131609e+05 2.342014e+05 2.915326e+05 5.318489e+05 3.191727e+05 2.561597e+05 2.027921e+05 5.494161e+05 4.381816e+05 1.749680e+05 1.520221e+05 4.703671e+05 2.732378e+05 2.984439e+05 5.866793e+05 4.771527e+05 4.709838e+05 4.426455e+05 4.875300e+05 4.208582e+05 4.326729e+05 3.156177e+05 6.796453e+05 4.057559e+05 2.774410e+05 4.661101e+05 4.578861e+05 7.277651e+05 6.479108e+05 3.317532e+05 3.464208e+05 2.403276e+05 2.451012e+05 4.274012e+05 4.522693e+05 3.078417e+05 3.601665e+05 3.035269e+05 5.836220e+05 2.569757e+05 4.553815e+05 6.311234e+05 4.048581e+05 2.957946e+05 3.660267e+05 3.399225e+05 4.156112e+05 4.466660e+05 7.769693e+05 6.006615e+05 5.532629e+05 5.510048e+05 4.683278e+05 5.225021e+05 4.401784e+05 4.022461e+05 8.121476e+05 4.315701e+05 2.361742e+05 3.363007e+05 5.847637e+05 4.880370e+05 6.961446e+05 1.095087e+06 5.534337e+05 7.471553e+05 6.832111e+05 5.470082e+05 2.808006e+05 6.634310e+05 7.223852e+05 6.321302e+05 8.477711e+05 7.316697e+05 7.124184e+05 5.642854e+05 6.717325e+05 1.349534e+05 1.054403e+06 1.132162e+06 2.839969e+05 2.630786e+05 2.498192e+05 3.586794e+05 1.315018e+05 2.687090e+05 4.355866e+05 4.552343e+05 5.238342e+05 2.484223e+05 5.005098e+05 5.705898e+05 3.981526e+05 4.676733e+05 6.437647e+05 5.713788e+05 3.665387e+05 3.176913e+05 3.137209e+05 2.936918e+05 3.117437e+05 4.703324e+05 4.233143e+05 2.994901e+05 2.336014e+05 4.181368e+05 3.842832e+05 3.971654e+05 2.781718e+05 4.781441e+05 4.126805e+05 6.656269e+05 8.161298e+05 4.951438e+05 1.461414e+05 3.484209e+05 2.433767e+05 1.334316e+06 4.272299e+05 3.298657e+05 1.702145e+06 3.953266e+05 9.621732e+05 2.544131e+05 5.712525e+05 1.971509e+06 4.174303e+05 1.542752e+06 5.325825e+05 3.252420e+05 5.652933e+05 1.114089e+06 3.773283e+05 1.823260e+06 1.522961e+06 3.791594e+05 1.431413e+06 1.776964e+06 1.597704e+06 3.725491e+05 4.676417e+05 6.494246e+05 3.032278e+05 2.823546e+05 1.913988e+05 5.660234e+05 5.965804e+05 1.847378e+05 2.919736e+05 3.447877e+05 6.427325e+05 4.744014e+05 6.245766e+05 2.512318e+06 4.554099e+05 7.451818e+05 4.253151e+05 6.740985e+05 4.755402e+05 1.512695e+05 6.688509e+05 4.191899e+05 5.916707e+05 5.492048e+05 6.002861e+05 5.815980e+05 4.778837e+05 3.694629e+05 7.883940e+05 3.582706e+05 4.729399e+05 8.007376e+05 2.727117e+05 6.431555e+05 1.989880e+05 4.832506e+05 5.677663e+05 8.716219e+05 3.117040e+06 2.846427e+06 2.918488e+06 1.976964e+06 1.904595e+06 3.329838e+06 2.079406e+06 2.828445e+06 3.215728e+06 3.073987e+06 1.812541e+05 2.958412e+06 3.710142e+05 5.929761e+06 2.159480e+05 2.575680e+05 1.749418e+05 2.921780e+05 1.281437e+06 2.734522e+06 3.112811e+06 Diethyl(2R_3R)-2-methyl-3-hydroxysuccinate_1.804 2.223552e+05 1.283164e+09 1.262462e+09 1.241567e+09 1.922925e+05 7.692703e+08 1.285435e+09 1.302940e+09 194471.70 1.158906e+09 1.202562e+09 1.275953e+09 185560.51 1.160328e+09 1.156070e+09 1.118445e+09 2.998026e+05 1.132246e+09 1.158943e+09 1.230679e+09 4.581123e+05 1.099761e+09 1.382756e+09 1.379918e+09 668431.750 9.549377e+08 1.201091e+09 1.065148e+09 2.878120e+05 1.140665e+09 1.258860e+09 1.497794e+09 644958.68 9.137291e+08 1.137253e+09 1.230937e+09 6.275595e+05 1.087489e+09 1.329398e+09 1.224050e+09 3.027798e+05 9.721881e+08 1.170731e+09 1.381998e+09 5.541031e+05 1.185608e+09 1.270267e+09 1.030329e+09 6.440170e+08 8.090046e+08 7.899408e+08 1.085956e+09 8.527584e+08 9.154757e+08 9.037483e+08 8.560569e+08 1.063003e+09 1.083290e+09 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2.661674e+06 4.161059e+06 6.896338e+06 4.384908e+06 6.391760e+06 4-(Acetyloxy)-ë±-ethenylbenzenemethanol_1.805 1.008271e+06 1.880015e+06 1.687490e+06 1.363343e+06 5.276772e+04 1.567344e+06 2.146913e+06 1.597161e+06 65632.65 1.576516e+06 1.562429e+06 1.501504e+06 61617.59 1.675649e+06 1.417289e+06 1.484682e+06 5.883608e+04 2.159754e+06 2.132963e+06 1.146093e+06 1.090303e+05 1.758631e+06 1.231735e+06 2.742093e+06 66004.646 8.917575e+05 2.172590e+06 1.570210e+06 6.864865e+04 9.952640e+05 2.387132e+06 1.833476e+06 115375.36 1.372918e+06 1.793816e+06 1.464285e+06 1.442952e+05 1.240742e+06 1.643799e+06 1.169385e+06 8.596757e+04 1.357057e+06 2.420557e+06 2.482273e+06 4.052141e+04 1.258371e+06 1.919513e+06 9.993899e+05 1.063820e+06 1.406052e+06 1.005588e+06 3.029368e+06 1.845668e+06 1.588625e+06 1.060625e+06 1.508232e+06 1.363120e+06 1.444447e+06 2.442305e+06 2.896017e+06 1.982209e+06 2.514573e+06 2.910056e+06 2.287533e+06 2.164627e+06 8.653894e+05 2.041658e+06 1.630372e+06 1.457439e+06 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4.764107e+04 3.746654e+05 6.845846e+05 7.713741e+05 53090.30 5.973432e+05 6.058589e+05 7.214487e+05 50509.57 6.716027e+05 4.992946e+05 8.546834e+05 5.745094e+04 6.311493e+05 6.500107e+05 8.754992e+05 1.180625e+05 3.379633e+05 5.610456e+05 7.688404e+05 69040.264 7.365328e+05 5.764998e+05 5.594437e+05 6.104339e+04 8.112709e+05 6.633269e+05 7.285235e+05 87229.34 5.724656e+05 5.947059e+05 6.098928e+05 9.114857e+04 7.409201e+05 6.565839e+05 5.881546e+05 6.661700e+04 5.735210e+05 7.399403e+05 7.123161e+05 3.651322e+04 6.877327e+05 8.937781e+05 3.589833e+05 1.293629e+05 1.157684e+05 1.075100e+05 1.144475e+05 1.282235e+05 1.155646e+05 1.011529e+05 1.524849e+05 1.219252e+05 1.431382e+05 1.338142e+05 1.288988e+05 1.608317e+05 1.212406e+05 1.317521e+05 1.489395e+05 1.194457e+05 1.119951e+05 1.171937e+05 1.279490e+05 1.269985e+05 1.279536e+05 1.705584e+05 1.543694e+05 1.767553e+05 1.718889e+05 1.103998e+05 1.125763e+05 1.371172e+05 1.264303e+05 1.459323e+05 1.178878e+05 1.144645e+05 1.220729e+06 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1.372014e+06 1.081468e+06 1.575728e+05 1.091754e+05 1.335125e+05 1.326006e+05 1.180571e+06 1.579231e+05 1.173320e+05 1.236538e+05 1.364706e+05 1.161673e+05 1.431670e+05 1.667283e+05 1.217365e+05 1.104081e+05 1.276222e+05 1.099877e+05 2.071820e+05 8.632893e+04 9.163569e+04 9.999942e+04 1.492522e+05 1.531858e+05 1.209997e+05 1.508124e+05 C24 H58 N9 O7 P_1.806 3.839519e+04 1.815596e+06 1.971168e+06 1.793940e+06 4.531213e+04 1.569978e+06 1.835183e+06 1.988987e+06 51514.84 1.644145e+06 1.693680e+06 2.410034e+06 50363.66 1.728617e+06 1.496777e+06 1.517084e+06 6.046121e+04 1.911702e+06 2.008052e+06 1.808047e+06 1.151789e+05 1.547074e+06 1.949333e+06 1.996194e+06 68090.777 1.779592e+06 1.819662e+06 1.705732e+06 6.440966e+04 1.964547e+06 1.521683e+06 1.996747e+06 89283.75 1.652033e+06 1.826697e+06 1.876464e+06 9.001545e+04 1.988844e+06 1.767604e+06 1.475328e+06 6.922247e+04 1.632033e+06 2.063223e+06 1.950748e+06 3.782716e+04 2.055489e+06 1.742329e+06 1.595093e+06 1.031368e+06 1.983355e+06 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1.598552e+06 1.505336e+06 2.282515e+06 1.087043e+06 3.068028e+06 2.269001e+06 1.552849e+06 2.095119e+06 1.522457e+06 1.953019e+06 2.026136e+06 1.853120e+06 5.151769e+06 2.242179e+06 2.327032e+06 2.559193e+06 1.950228e+06 1.442945e+06 1.111471e+06 2.269913e+06 2.929953e+06 2.915568e+06 2.038802e+06 2.725997e+06 2.212874e+06 1.699848e+06 2.659682e+06 1.880065e+06 1.769684e+06 1.991118e+06 2.235811e+06 1.249233e+06 1.666277e+06 1.421004e+06 1.909916e+06 1.775313e+06 2.726677e+06 3.852051e+06 4.388285e+06 4.067984e+06 2.850836e+06 3.234319e+06 4.590574e+06 2.997724e+06 3.728377e+06 3.787389e+06 3.785174e+06 1.124418e+06 3.210077e+06 1.920634e+06 7.179269e+06 1.080710e+06 8.718484e+05 1.031334e+06 1.339746e+06 3.072890e+06 3.494725e+06 4.078585e+06 C7 H10_1.807 1.161732e+05 7.278189e+05 7.532210e+05 8.715709e+05 6.204941e+04 3.125291e+05 8.023800e+05 8.184039e+05 179728.05 7.021969e+05 6.517229e+05 7.594278e+05 69531.69 6.805792e+05 6.648848e+05 4.120914e+05 9.739895e+04 9.414850e+05 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1.415921e+06 1.307063e+06 5.900154e+05 1.120969e+06 1.392924e+06 9.464511e+05 1.012700e+06 1.128201e+06 1.149835e+06 1.099995e+06 9.246048e+05 1.415440e+06 1.651010e+06 1.533634e+06 2.785620e+06 1.902089e+06 2.242418e+06 3.276076e+06 1.678399e+06 1.947719e+06 3.493283e+06 2.590499e+06 6.263314e+05 2.048989e+06 1.017727e+06 3.228807e+06 5.886457e+05 6.321809e+05 6.415176e+05 7.916261e+05 1.733672e+06 1.718847e+06 2.074936e+06 C9 H29 N10 O2 P3 S2_1.808 5.137900e+04 2.871553e+06 2.613283e+06 2.631550e+06 5.789476e+04 1.843024e+06 2.510348e+06 2.968365e+06 53124.37 2.521346e+06 2.619840e+06 2.601649e+06 47913.31 2.545618e+06 2.899710e+06 1.971220e+06 5.523054e+04 2.496142e+06 2.534245e+06 2.776653e+06 1.058928e+05 2.693477e+06 2.577236e+06 2.667616e+06 68377.387 2.398359e+06 2.610983e+06 2.759059e+06 6.975037e+04 2.530820e+06 1.966063e+06 2.961157e+06 100815.85 2.920295e+06 1.752865e+06 3.039355e+06 1.055108e+05 2.571661e+06 2.730071e+06 2.029301e+06 8.074162e+04 2.761901e+06 2.622809e+06 2.744317e+06 4.324428e+04 2.409929e+06 2.946978e+06 2.262703e+06 1.647269e+06 1.855748e+06 1.854314e+06 2.133471e+06 2.026082e+06 1.949941e+06 2.065650e+06 1.377212e+06 2.608301e+06 2.437376e+06 2.705685e+06 1.763162e+06 2.393099e+06 2.056667e+06 2.049510e+06 2.811435e+06 2.032181e+06 1.478918e+06 2.351771e+06 2.750266e+06 2.353279e+06 2.125126e+06 2.860064e+06 3.032399e+06 3.385503e+06 2.585515e+06 2.242813e+06 2.349429e+06 2.667079e+06 2.283217e+06 8.190348e+04 2.126108e+06 2.240382e+06 2.202179e+06 1.772105e+06 1.889112e+06 2.221353e+06 2.306565e+06 1.642739e+06 2.122182e+06 2.058871e+06 2.893903e+06 2.346999e+06 2.445601e+06 2.553884e+06 2.249800e+06 1.747441e+06 2.287945e+06 3.010252e+06 2.403645e+06 2.287202e+06 2.232460e+06 2.372606e+06 2.171164e+06 1.870739e+06 2.001737e+06 2.694027e+06 1.866915e+06 2.106808e+06 2.291031e+06 7.046722e+05 1.427011e+06 1.874424e+06 2.266522e+06 2.937699e+06 2.114133e+06 2.217665e+06 2.492043e+06 2.128558e+06 2.452194e+06 2.244975e+06 2.076631e+06 1.916140e+06 1.524914e+06 1.836030e+06 2.887811e+06 2.101683e+06 2.521891e+06 2.092871e+06 1.155615e+06 1.830655e+06 2.070529e+06 2.079343e+06 1.042714e+05 1.862660e+06 2.041048e+06 1.796176e+06 2.360450e+06 3.363328e+06 2.266936e+06 1.641082e+06 1.990477e+06 1.143783e+06 3.693958e+06 2.422379e+06 1.217159e+06 1.770129e+06 1.810460e+06 2.161661e+06 1.902039e+06 3.401090e+06 2.464534e+06 1.825541e+06 2.350064e+06 2.594455e+06 2.165611e+06 2.261039e+06 2.767015e+06 2.415578e+06 2.357741e+06 2.468052e+06 2.553769e+06 2.070715e+06 1.599174e+06 1.518482e+06 2.052887e+06 1.511087e+06 2.075591e+06 1.347163e+06 2.248128e+06 1.494335e+06 1.644630e+06 2.340014e+06 1.537442e+06 1.773129e+06 1.919720e+06 2.193054e+06 2.119410e+06 2.443211e+06 2.658941e+06 2.075504e+06 3.183691e+06 3.682143e+06 3.664422e+06 3.385612e+06 3.525477e+06 3.431639e+06 3.640413e+06 3.584463e+06 3.040832e+06 3.394435e+06 3.082731e+06 3.013036e+06 3.615880e+06 3.585421e+06 3.434746e+06 4.080454e+06 2.860680e+06 3.223029e+06 4.493972e+06 3.579418e+06 3.850969e+06 2.922980e+06 3.308701e+06 2.173017e+06 2.612714e+06 3.527977e+06 3.222271e+06 3.749116e+06 2.586425e+06 4.621439e+06 2.301199e+06 1.852233e+06 4.218452e+06 3.206142e+06 3.239385e+06 4.219029e+06 3.611755e+06 3.331167e+06 3.912820e+06 4.357052e+06 2.679083e+06 3.884844e+06 2.852743e+06 2.707443e+06 3.824770e+06 3.613230e+06 4.417216e+06 2.196596e+06 3.807347e+06 3.850074e+06 3.207250e+06 3.590041e+06 6.818272e+06 3.557730e+06 3.263463e+06 4.101807e+06 3.345922e+06 4.204117e+06 3.992674e+06 3.729126e+06 2.130361e+06 1.846974e+06 2.284814e+06 3.077839e+06 3.183889e+06 2.425973e+06 2.140666e+06 2.388025e+06 2.070533e+06 3.211516e+06 2.582803e+06 2.376990e+06 2.236130e+06 2.332184e+06 2.087269e+06 3.198836e+06 1.008188e+06 1.428960e+06 1.839786e+06 3.100020e+06 3.378100e+06 2.248936e+06 3.107327e+06 NPPB_1.809 2.894696e+05 3.424790e+06 6.923354e+06 7.502419e+06 1.359485e+05 4.648267e+06 8.609315e+06 1.134381e+07 108065.02 4.891019e+06 7.624578e+06 6.704471e+06 149533.18 2.942697e+06 6.999988e+06 6.478382e+06 2.314021e+05 3.215488e+06 8.114119e+06 9.459078e+06 3.093901e+05 2.883979e+06 6.629438e+06 1.417698e+07 180590.571 2.548581e+06 7.189233e+06 5.213711e+06 2.336671e+05 3.292395e+06 5.529325e+06 9.530711e+06 333375.92 5.361241e+06 9.288123e+06 6.105181e+06 3.577390e+05 5.299784e+06 7.730962e+06 6.464863e+06 2.819867e+05 4.129429e+06 5.520568e+06 1.357613e+07 1.479749e+05 3.571710e+06 5.031917e+06 6.953673e+06 7.407627e+05 7.112655e+05 8.518729e+05 1.932523e+06 5.382433e+05 6.125698e+05 1.931923e+06 1.093102e+06 3.520219e+05 1.076827e+06 1.544707e+06 1.343086e+06 6.733062e+06 2.952878e+06 2.155576e+06 1.222029e+06 3.061039e+06 7.334840e+05 8.537047e+05 2.216086e+06 7.104580e+05 9.587022e+05 3.851267e+06 2.306656e+06 1.398412e+06 1.375990e+06 1.196165e+06 1.150480e+06 1.601168e+06 5.533173e+05 3.019795e+06 1.239940e+06 7.172014e+05 8.454910e+05 9.105887e+05 1.580594e+06 2.025805e+06 6.761027e+05 7.514671e+05 3.670549e+05 5.535479e+05 1.165162e+06 2.055930e+06 7.788071e+05 6.921279e+05 7.402208e+05 1.198901e+06 8.274444e+05 6.627087e+05 2.068872e+06 1.377708e+06 1.395700e+06 8.291439e+05 1.006502e+06 1.079987e+06 9.044477e+05 1.056136e+06 1.086585e+06 6.706326e+05 6.729083e+05 2.599446e+07 8.674873e+05 8.001944e+05 7.730285e+05 4.844352e+05 1.071628e+06 1.072655e+06 5.224402e+05 8.590344e+05 1.001434e+06 7.494062e+05 4.322411e+06 6.345645e+05 7.817377e+05 4.859612e+05 4.786019e+05 5.361629e+05 7.037452e+05 5.969365e+05 1.043383e+06 9.152704e+05 2.892883e+06 9.140279e+05 3.477500e+05 7.351174e+05 1.837761e+06 1.162670e+06 6.413054e+05 1.316083e+06 6.094584e+05 3.691310e+05 1.864891e+06 6.271425e+05 5.922250e+05 1.121664e+06 7.421871e+05 8.879520e+05 1.058475e+06 1.285110e+06 9.574457e+05 3.295574e+05 9.313173e+05 6.604604e+05 6.755490e+05 3.432363e+05 1.669228e+06 4.566842e+05 6.675965e+05 1.664936e+06 1.374338e+06 2.071886e+06 1.388056e+06 6.288622e+05 1.503398e+06 6.311032e+05 4.047411e+05 7.272268e+05 2.270873e+06 1.597036e+06 9.762310e+05 5.450997e+05 9.998274e+05 1.692597e+06 5.694070e+05 8.153638e+05 6.668993e+05 7.563051e+05 8.513125e+05 1.263033e+06 1.264280e+06 8.445214e+05 9.057129e+05 2.579421e+06 4.963744e+05 4.945348e+05 9.737543e+05 5.195686e+05 1.068504e+06 1.078495e+06 9.503518e+05 2.924685e+06 1.513563e+06 1.414313e+06 4.284409e+05 8.938427e+05 6.770037e+05 7.109857e+06 1.225641e+06 7.329292e+05 2.095880e+06 1.398622e+06 1.780839e+06 1.831326e+06 9.284602e+05 5.447117e+05 1.865952e+06 8.027515e+05 1.725760e+06 1.935744e+06 3.576867e+05 1.997427e+06 1.316321e+06 2.208938e+06 8.062692e+05 5.353279e+05 1.262522e+06 5.704415e+05 9.492363e+05 1.081197e+06 1.650843e+06 3.252474e+06 2.747780e+06 1.058551e+06 8.979591e+05 1.593219e+06 1.084204e+06 9.602420e+05 3.003618e+06 1.358627e+06 7.143460e+05 8.700026e+05 6.845639e+05 3.009607e+06 6.264385e+05 8.553899e+05 8.907291e+05 3.893034e+06 7.357184e+05 9.809379e+05 6.993230e+05 9.158700e+05 1.146597e+06 1.738320e+06 7.035046e+06 7.848423e+05 1.471306e+06 1.436366e+06 4.484803e+06 2.237008e+06 3.845056e+06 6.544788e+05 1.042512e+06 3.395781e+06 2.733378e+06 1.739571e+06 1.279728e+06 3.127462e+06 8.486104e+06 1.631363e+06 7.707703e+06 5.649770e+05 6.317583e+05 1.825805e+06 7.592967e+06 C6 H18 N9 P_1.81 1.229359e+05 2.411176e+06 1.675753e+06 2.025471e+06 4.226617e+04 1.132107e+06 1.725812e+06 2.173353e+06 68298.83 1.481652e+06 1.914448e+06 2.093458e+06 65774.36 1.915511e+06 1.636247e+06 1.749751e+06 6.370665e+04 1.740396e+06 1.880962e+06 1.816227e+06 1.244597e+05 1.702341e+06 1.716545e+06 2.456660e+06 67169.571 1.563311e+06 1.836808e+06 1.731242e+06 6.388760e+04 1.713925e+06 1.842802e+06 2.111520e+06 89807.40 1.487303e+06 2.387742e+06 1.475022e+06 1.035298e+05 1.599441e+06 2.233918e+06 1.585134e+06 8.211406e+04 1.345379e+06 2.063015e+06 2.080433e+06 4.120546e+04 1.823765e+06 2.033175e+06 1.566818e+06 1.146342e+06 1.800999e+06 1.047410e+06 1.972173e+06 8.176123e+05 1.405054e+06 1.665627e+06 4.762267e+05 2.412970e+06 1.770566e+06 1.277738e+06 1.820528e+06 1.575448e+06 1.232749e+06 1.920855e+06 1.880987e+06 1.590829e+06 4.142825e+06 4.224521e+06 9.022887e+05 1.928624e+06 1.333403e+06 2.555246e+06 1.998684e+06 1.369532e+06 1.844515e+06 2.834628e+06 1.910167e+06 2.028420e+06 3.042201e+06 2.937094e+06 1.776211e+06 2.139845e+06 3.206404e+06 2.126182e+06 2.363299e+06 2.036266e+06 4.436759e+06 2.606363e+06 1.411469e+06 1.599494e+06 1.958196e+06 3.403072e+06 1.978250e+06 2.649440e+06 1.787490e+06 3.051037e+06 2.603515e+06 3.462287e+06 1.221306e+06 2.208582e+06 2.262321e+06 2.126251e+06 2.019837e+06 1.054432e+06 1.773108e+06 2.748390e+06 2.539944e+06 2.115261e+06 3.117899e+06 1.100350e+06 1.421910e+06 2.267873e+06 3.302453e+06 3.015691e+06 1.587740e+06 1.766424e+06 1.032278e+06 1.934960e+06 1.616195e+06 1.684169e+06 1.679629e+06 1.212019e+06 1.213016e+06 1.128111e+06 9.841061e+05 1.552236e+06 1.680716e+06 3.581809e+06 1.054647e+06 1.503901e+06 1.889850e+06 1.706187e+06 4.307959e+05 1.746058e+06 2.399790e+06 2.120139e+06 2.193743e+06 1.807838e+06 2.542022e+06 1.764270e+06 2.288951e+06 6.049319e+05 2.450082e+06 2.332153e+06 1.126668e+06 1.629398e+06 1.912411e+06 1.979090e+06 1.206281e+06 2.443328e+06 2.707525e+06 2.006549e+06 2.024196e+06 2.370578e+06 1.558335e+06 1.925059e+06 1.379311e+06 2.475790e+06 4.084728e+06 3.145273e+06 2.082259e+06 1.300008e+06 2.200174e+06 1.545988e+06 1.385863e+06 2.113027e+06 1.603016e+06 1.156833e+06 1.544397e+06 1.565083e+06 1.317349e+06 2.303129e+06 1.623083e+06 1.132469e+06 1.178783e+06 1.813452e+06 2.334327e+06 1.465639e+06 1.550356e+06 1.778261e+06 1.649795e+06 1.284183e+06 2.320525e+06 1.341474e+06 3.449300e+06 1.582871e+06 1.167272e+06 2.050684e+06 1.103069e+06 4.437113e+06 1.898597e+06 4.448701e+06 1.743569e+06 1.181184e+06 1.226471e+06 2.234535e+06 1.289521e+06 3.228251e+06 4.536016e+06 2.137089e+06 4.610133e+06 4.111541e+06 1.542981e+06 1.454549e+06 2.573713e+06 2.590237e+06 1.333214e+06 2.058399e+06 8.884739e+05 2.820247e+06 1.210790e+06 1.225751e+06 1.255476e+06 2.279504e+06 2.886571e+06 1.780383e+06 2.730429e+06 7.871015e+06 1.798176e+06 2.522314e+06 1.751284e+06 2.458860e+06 1.681924e+06 1.043442e+06 1.657820e+06 1.544069e+06 2.241640e+06 1.099982e+06 1.261798e+06 1.923395e+06 1.597787e+06 1.393497e+06 1.901559e+06 1.932063e+06 1.541963e+06 1.494930e+06 2.076692e+06 3.551934e+06 1.519214e+06 1.760425e+06 1.378125e+06 7.001587e+06 1.342202e+06 1.758044e+06 2.219934e+06 1.219854e+06 1.777770e+06 2.022075e+06 1.571224e+06 1.745228e+06 3.254305e+06 2.017203e+06 1.743907e+06 1.313217e+06 1.471228e+06 3.850481e+06 9.443857e+05 1.177851e+06 1.953690e+06 8.681271e+05 5.246224e+05 1.607196e+06 2.498913e+06 461.12155_1.81 1.301822e+05 1.136593e+07 1.654865e+07 1.014453e+07 1.239487e+05 2.016145e+07 1.358031e+07 1.848496e+07 71895.84 1.737056e+07 1.225406e+07 1.662235e+07 61300.02 1.746702e+07 1.519407e+07 1.785813e+07 6.197745e+04 1.067859e+07 1.429754e+07 1.539421e+07 1.180203e+05 1.879295e+07 1.761103e+07 1.809222e+07 81505.010 7.282391e+06 1.755284e+07 1.673327e+07 7.413969e+04 1.386868e+07 1.297654e+07 1.723805e+07 87096.91 1.604302e+07 1.552815e+07 1.345712e+07 8.592928e+04 1.931241e+07 1.516135e+07 1.444419e+07 7.455203e+04 1.741894e+07 6.411786e+06 2.133192e+07 4.641386e+04 1.821394e+07 1.783786e+07 1.097571e+07 9.222991e+06 8.451544e+06 1.308487e+07 1.312569e+07 1.109946e+07 1.248548e+07 1.418397e+07 1.227130e+07 1.619768e+07 1.456933e+07 1.268955e+07 1.418895e+07 1.551689e+07 3.533672e+06 1.366601e+07 1.456753e+07 1.268598e+07 8.684568e+06 1.429433e+07 1.360316e+07 1.589547e+07 1.701940e+07 2.135448e+07 1.936755e+07 2.247158e+07 2.008290e+07 1.512264e+07 1.603863e+07 1.677836e+07 1.776911e+07 9.267001e+04 1.242709e+07 8.226516e+06 1.044957e+07 9.906040e+06 1.167291e+07 1.372016e+07 1.464742e+07 1.021623e+07 1.276075e+07 1.575323e+07 1.873959e+07 1.325082e+07 1.673933e+07 1.609890e+07 1.085151e+07 1.397800e+07 1.314901e+07 1.504040e+07 1.294062e+07 1.622131e+07 8.531198e+06 1.483255e+07 1.421732e+07 1.474894e+07 1.147055e+07 1.563588e+07 1.332358e+07 1.298847e+07 1.520754e+07 5.587383e+06 8.506635e+06 1.209812e+07 1.861492e+07 2.110167e+07 1.082476e+07 1.317147e+07 2.101988e+07 1.250508e+07 1.369366e+07 1.151571e+07 1.076286e+07 1.152320e+07 1.083540e+07 1.266554e+07 1.666963e+07 1.389820e+07 1.422564e+07 1.141605e+07 7.724839e+06 1.478704e+07 1.356913e+07 1.602144e+07 8.432780e+04 9.599178e+06 1.168994e+07 1.278408e+07 1.457204e+07 2.201708e+07 1.717130e+07 1.663764e+07 1.400409e+07 3.695186e+06 2.489680e+07 1.401832e+07 1.139928e+07 1.750575e+07 1.134713e+07 1.339939e+07 1.116558e+07 2.083400e+07 1.334842e+07 7.479832e+06 1.915308e+07 1.601622e+07 1.316684e+07 1.692262e+07 1.059978e+07 1.191415e+07 1.142006e+07 1.663807e+07 1.506986e+07 1.167537e+07 7.916938e+06 9.454878e+06 1.172962e+07 8.535476e+06 1.220544e+07 8.508693e+06 1.271237e+07 8.206720e+06 1.211021e+07 1.667194e+07 1.421458e+07 1.123261e+07 1.370783e+07 1.577041e+07 9.942397e+06 1.464884e+07 1.237630e+07 1.234464e+07 1.842694e+07 1.898963e+07 2.501673e+07 1.862530e+07 1.636442e+07 2.037361e+07 1.992681e+07 1.834169e+07 1.982290e+07 8.434750e+06 1.524099e+07 2.177208e+07 2.604065e+07 1.539622e+07 1.636690e+07 1.958254e+07 1.966010e+07 2.087179e+07 2.215106e+07 1.893003e+07 2.029567e+07 1.958494e+07 2.454008e+07 1.234559e+07 1.804855e+07 3.305065e+07 2.046309e+07 2.610692e+07 2.870180e+07 2.609156e+07 1.209257e+07 1.746512e+07 2.299702e+07 2.115776e+07 1.933181e+07 2.854612e+07 1.966304e+07 2.122131e+07 1.796916e+07 2.587107e+07 2.055449e+07 2.482611e+07 9.474932e+06 1.752643e+07 1.879480e+07 1.998626e+07 2.316353e+07 1.904105e+07 1.588498e+07 2.170508e+07 3.038022e+07 2.419460e+07 2.245153e+07 1.787699e+07 2.048328e+07 2.663667e+07 1.486040e+07 1.590523e+07 2.221368e+07 2.779414e+07 1.327860e+07 1.329533e+07 1.264082e+07 2.320164e+07 3.066214e+07 1.387425e+07 7.572153e+06 1.655178e+07 1.199636e+07 1.677157e+07 1.454276e+07 4.000909e+06 1.313929e+07 1.303421e+07 6.092597e+06 1.228311e+07 6.982093e+06 6.306631e+06 9.903091e+06 1.792255e+07 1.980928e+07 1.345338e+07 1.935180e+07 C12 H23 N O5_1.811 1.949058e+05 7.821256e+05 1.103680e+06 1.022019e+06 5.016622e+04 5.166271e+05 8.895706e+05 1.161530e+06 53536.19 8.581085e+05 9.044599e+05 8.144773e+05 60357.81 8.604531e+05 9.323487e+05 6.763169e+05 1.972453e+05 8.448102e+05 1.204256e+06 1.009484e+06 1.228761e+05 6.858901e+05 8.255509e+05 1.072252e+06 75925.939 6.738849e+05 9.508270e+05 9.295694e+05 6.593908e+04 8.870934e+05 8.120201e+05 8.689299e+05 85963.90 1.085699e+06 7.796008e+05 7.852799e+05 9.048774e+04 9.583673e+05 9.841158e+05 8.866660e+05 7.154653e+04 8.081916e+05 8.732341e+05 9.971873e+05 4.043089e+04 8.988908e+05 7.996233e+05 9.222110e+05 1.978818e+06 2.841963e+06 9.484147e+05 9.881074e+05 3.196319e+05 1.206687e+06 1.310013e+06 9.988964e+05 2.093149e+06 7.906133e+05 1.036275e+06 2.469707e+06 8.199393e+05 1.383916e+06 8.111713e+05 8.925943e+05 5.056584e+05 4.978195e+05 4.034766e+05 6.108006e+05 7.533581e+05 8.760332e+05 7.687350e+05 7.372206e+05 5.964092e+05 1.254088e+06 1.751527e+06 3.551176e+05 1.217045e+06 2.454486e+06 9.586340e+04 1.099575e+06 4.032499e+05 6.553558e+05 1.022529e+06 6.365816e+05 1.735822e+06 8.266628e+05 9.182031e+05 4.822578e+05 9.869333e+05 6.507128e+05 3.518526e+05 9.152879e+05 3.612819e+05 4.682477e+05 1.472630e+05 6.927903e+05 2.535262e+05 1.093522e+05 4.225544e+05 1.153311e+05 1.391725e+05 4.708493e+05 1.239778e+05 4.625374e+05 1.320151e+05 5.362773e+05 2.376341e+05 5.672811e+05 6.449130e+05 1.495680e+05 1.523236e+05 8.583330e+05 3.382640e+05 1.050133e+05 1.294394e+05 1.465127e+05 4.467531e+05 1.174261e+05 1.576151e+05 2.099707e+06 1.163926e+05 1.171084e+05 9.727509e+04 1.227630e+05 1.057584e+05 1.193469e+05 1.987922e+05 1.277316e+05 2.475426e+05 2.382367e+05 6.235171e+05 8.899911e+04 1.400137e+06 1.412778e+06 2.095319e+06 6.077968e+05 1.423635e+06 3.520075e+06 1.301105e+06 1.564418e+06 1.381876e+05 3.821867e+06 1.547519e+06 1.307819e+05 1.040851e+05 1.301959e+05 2.903657e+05 2.657108e+05 1.489691e+05 2.207408e+05 1.374280e+05 2.132174e+05 2.458014e+05 4.491398e+05 4.087230e+05 4.077154e+05 4.691554e+05 1.225484e+06 2.276760e+06 3.601236e+05 4.165572e+05 7.438393e+05 2.469294e+06 6.362957e+05 1.141985e+06 8.214333e+05 1.727552e+06 7.107357e+05 6.361381e+05 1.001791e+06 7.880570e+05 2.485189e+06 1.475954e+06 7.100247e+05 1.075206e+06 1.115893e+06 7.672372e+05 6.587891e+05 7.381075e+05 7.013629e+05 1.023423e+06 2.172082e+06 1.019529e+06 8.316505e+05 1.217245e+06 1.337731e+06 1.484115e+06 1.036641e+06 1.026882e+06 6.533140e+05 1.444372e+06 2.010803e+06 8.569215e+05 9.489584e+05 9.301242e+05 1.476293e+06 5.525122e+05 9.963563e+05 2.304791e+06 6.013800e+05 7.257777e+05 6.314562e+05 1.876145e+06 1.633387e+06 1.760121e+06 1.137971e+06 1.072397e+06 5.003951e+05 3.543762e+06 1.163618e+06 1.268550e+06 1.212142e+06 1.288786e+06 1.001758e+06 1.070167e+06 1.127946e+06 8.661112e+05 1.347196e+06 2.376087e+06 1.243123e+06 3.582705e+06 8.111596e+05 1.169119e+06 1.311141e+06 2.246963e+06 5.040687e+06 9.651308e+05 1.706784e+06 1.299079e+06 1.141433e+06 1.704569e+06 2.119004e+06 9.412063e+05 4.144656e+06 2.083832e+06 1.022372e+06 1.376592e+06 9.395543e+05 3.500425e+06 4.759834e+05 1.460303e+06 1.126120e+06 1.665151e+06 1.823094e+06 8.015531e+05 7.075354e+05 1.041859e+06 9.677150e+05 1.095143e+06 3.383167e+06 2.116041e+06 6.468754e+05 1.197269e+06 9.839954e+05 2.753357e+06 5.563472e+05 6.772816e+05 1.168268e+06 4.068170e+05 1.120277e+06 1.838219e+06 1.234212e+06 C4 H16 N9 P_1.811 3.549060e+04 1.338450e+06 7.886288e+05 8.641870e+05 4.754869e+04 7.745670e+05 1.000257e+06 8.113182e+05 54769.58 8.789327e+05 9.859821e+05 1.015522e+06 54688.07 1.189881e+06 8.728127e+05 6.402559e+05 6.093415e+04 1.067970e+06 9.589766e+05 7.146960e+05 1.202778e+05 1.318108e+06 9.510454e+05 9.187494e+05 78272.352 6.439998e+05 1.177933e+06 9.308494e+05 7.373636e+04 1.120016e+06 8.934632e+05 1.140220e+06 113160.49 5.675560e+05 1.030217e+06 7.297272e+05 1.113749e+05 8.396130e+05 1.156149e+06 1.155317e+06 7.656618e+04 8.986786e+05 8.682525e+05 8.289724e+05 4.497663e+04 1.252725e+06 5.135297e+05 1.162923e+06 7.877214e+05 7.249238e+05 8.362688e+05 1.005104e+06 1.034829e+06 1.032454e+06 7.729607e+05 5.853168e+05 8.486247e+05 1.240539e+06 8.310660e+05 9.416010e+05 7.614807e+05 1.150605e+06 1.160331e+06 1.082585e+06 8.310176e+05 3.574694e+05 1.838913e+06 7.632763e+05 1.189785e+06 8.385921e+05 1.463452e+06 1.370565e+06 8.925089e+05 1.165332e+06 8.162911e+05 9.504979e+05 1.045877e+06 6.283768e+05 1.229044e+05 6.837593e+05 8.307973e+05 7.353990e+05 7.054128e+05 8.609945e+05 5.864711e+05 1.110656e+06 1.150486e+06 7.169332e+05 9.632970e+05 7.665047e+05 1.060639e+06 7.556768e+05 8.425293e+05 6.648941e+05 9.456843e+05 8.771677e+05 7.174121e+05 5.940233e+05 9.231110e+05 5.887085e+05 8.232938e+05 7.301740e+05 7.886781e+05 1.149303e+06 1.112304e+06 1.002102e+06 8.384799e+05 1.002210e+06 2.044017e+05 9.084316e+05 6.559340e+05 1.306847e+06 8.941507e+05 7.535522e+05 5.475608e+05 4.821139e+05 9.056733e+05 4.861404e+05 5.882596e+05 9.678077e+05 6.998354e+05 6.714764e+05 7.251383e+05 1.227984e+06 5.816098e+05 9.171954e+05 1.085910e+06 8.434796e+05 6.464671e+05 7.518374e+05 6.311192e+05 1.128758e+05 8.453287e+05 7.411446e+05 7.818506e+05 6.949302e+05 7.732902e+05 6.512570e+05 9.483504e+05 6.425436e+05 6.531481e+05 1.237854e+06 8.815503e+05 6.331108e+05 6.187718e+05 7.313017e+05 8.625010e+05 1.002611e+06 9.307877e+05 7.984541e+05 7.230334e+05 9.629109e+05 8.695476e+05 8.015457e+05 6.676506e+05 8.716399e+05 1.712011e+06 1.109925e+06 1.030948e+06 1.038648e+06 9.958236e+05 9.062877e+05 4.855844e+05 5.943496e+05 7.585872e+05 4.633590e+05 4.593889e+05 5.930853e+05 9.201082e+05 9.505333e+05 6.056950e+05 8.972329e+05 6.246565e+05 7.376279e+05 5.760636e+05 1.001882e+06 1.196050e+06 1.473742e+06 9.393712e+05 9.232867e+05 1.229119e+06 1.251366e+06 1.065828e+06 1.735567e+06 9.379633e+05 1.148533e+06 1.215447e+06 1.136441e+06 4.010320e+06 9.348460e+05 1.764836e+06 1.664710e+06 1.139363e+06 1.154141e+06 1.593552e+06 1.118625e+06 1.887130e+06 1.668897e+06 1.608419e+06 1.960468e+06 1.992920e+06 1.287306e+06 8.348812e+05 1.437897e+06 1.146961e+06 9.587224e+05 1.555060e+06 6.239359e+05 1.430236e+06 9.859040e+05 2.174867e+06 1.553067e+06 8.234390e+05 1.461455e+06 1.416516e+06 1.194770e+06 1.622986e+06 9.332695e+05 1.755604e+06 1.170448e+06 2.214626e+06 9.503506e+05 8.094257e+05 1.253126e+06 1.020956e+06 1.915625e+06 1.291856e+06 1.237690e+06 1.394172e+06 1.042700e+06 1.944548e+06 1.912024e+06 1.533748e+06 9.514507e+05 1.725130e+06 1.176205e+06 1.227985e+06 1.881109e+06 1.078759e+06 6.576379e+05 1.406035e+06 1.117588e+06 1.273247e+06 1.824297e+06 8.011879e+05 8.538222e+05 8.722189e+05 1.564959e+06 9.804729e+05 8.239306e+05 9.141574e+05 9.306088e+05 9.752714e+05 6.675833e+05 1.801765e+06 3.732883e+05 5.929071e+05 4.310163e+05 9.906493e+05 1.091969e+06 9.337385e+05 1.518755e+06 NP-014891 (loss of water)_1.811 5.395089e+04 2.407735e+07 2.328189e+07 2.154281e+07 5.945227e+04 8.680733e+06 2.179238e+07 2.291497e+07 59970.95 1.944822e+07 2.037648e+07 2.424803e+07 60479.10 1.582317e+07 2.106848e+07 2.063376e+07 6.421480e+04 2.002675e+07 1.829761e+07 2.083741e+07 1.247275e+05 1.881068e+07 2.131629e+07 2.479742e+07 78945.548 1.775849e+07 1.915056e+07 2.063653e+07 7.895338e+04 1.809925e+07 2.032147e+07 2.533736e+07 114448.73 1.776894e+07 2.284686e+07 1.358712e+07 1.306631e+05 2.098228e+07 2.451979e+07 1.370967e+07 1.185761e+05 1.808130e+07 2.226318e+07 2.687013e+07 4.551156e+04 1.874391e+07 2.370555e+07 1.488999e+07 2.634158e+07 3.605053e+07 1.842399e+07 3.522637e+07 1.615575e+07 3.240152e+07 2.030796e+07 3.087783e+07 2.792734e+07 2.586372e+07 1.904677e+07 3.662259e+07 3.060126e+07 1.970189e+07 2.532799e+07 3.232217e+07 2.975239e+07 1.050311e+07 2.608789e+07 2.142183e+07 2.215388e+07 2.065702e+07 3.410953e+07 2.665146e+07 3.215920e+07 3.452699e+07 9.926976e+06 1.824901e+07 1.026767e+07 1.731169e+07 2.956585e+06 2.387023e+07 1.832360e+07 1.619907e+07 1.519880e+07 1.263761e+07 1.187200e+07 1.642468e+07 5.079160e+06 9.199383e+06 7.212761e+06 1.327130e+07 3.816586e+07 1.594665e+07 3.765489e+07 2.251077e+07 3.198805e+07 3.489363e+07 3.167621e+07 1.546561e+07 2.179007e+07 2.383758e+07 2.211453e+07 2.611662e+07 7.068748e+06 2.624551e+07 3.120912e+07 2.350260e+07 2.151429e+07 2.331514e+07 8.472289e+06 1.390145e+07 1.283698e+07 3.085934e+07 2.296013e+07 1.728080e+07 1.796584e+07 7.162122e+06 2.219440e+07 1.750633e+07 7.710669e+06 1.970927e+07 1.135365e+07 9.152823e+06 4.372463e+06 1.495221e+07 9.145152e+06 1.494168e+07 2.474225e+07 5.340727e+06 1.305467e+07 1.482601e+07 2.161640e+07 3.062079e+05 9.485012e+06 1.601212e+07 1.724402e+07 1.546591e+07 1.671154e+07 2.015786e+07 1.642570e+07 2.020456e+07 1.110647e+07 2.406975e+07 2.161011e+07 1.402736e+07 1.858116e+07 1.398997e+07 1.251948e+07 1.694406e+07 2.008127e+07 2.788727e+07 1.719112e+07 1.584911e+07 1.369972e+07 2.921797e+07 1.681946e+07 2.071852e+07 3.125968e+07 3.265423e+07 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6.993154e+06 1.073397e+07 7.214866e+06 1.943716e+07 2.242299e+07 2.922680e+07 5.259282e+06 6.347166e+06 5.138324e+06 3.715930e+06 1.187146e+07 6.015439e+06 4.402977e+06 4.158609e+06 1.378904e+07 4.912476e+06 3.300146e+07 5.860872e+06 2.121244e+07 1.064272e+07 1.730875e+07 1.914197e+07 2.929697e+07 1.610685e+07 4.227308e+06 4.212593e+06 5.342857e+06 544.03307_1.812 8.653030e+04 8.398747e+05 1.113805e+06 1.163245e+06 9.918732e+04 8.340128e+05 1.362907e+06 1.122613e+06 61193.46 1.251789e+06 1.032569e+06 9.892476e+05 52184.88 1.287624e+06 1.288267e+06 1.065221e+06 5.622987e+04 1.056244e+06 1.118589e+06 1.288967e+06 1.016212e+05 1.189333e+06 1.210975e+06 1.267902e+06 73494.598 7.752692e+05 1.157532e+06 1.283222e+06 6.468444e+04 9.113552e+05 1.137000e+06 1.230004e+06 75329.05 1.125392e+06 1.210249e+06 1.278970e+06 7.841319e+04 1.142364e+06 1.139481e+06 1.189708e+06 7.140164e+04 9.256325e+05 9.919691e+05 1.322100e+06 4.019105e+04 9.969888e+05 1.547008e+06 8.946827e+05 7.111415e+05 9.045937e+05 9.359410e+05 9.079261e+05 1.028313e+06 1.028927e+06 1.033365e+06 4.221611e+05 1.014804e+06 1.194975e+06 1.190214e+06 1.089110e+06 1.074403e+06 5.014333e+05 9.415141e+05 9.497396e+05 9.780498e+05 6.067636e+05 1.030441e+06 1.050485e+06 1.365552e+06 1.101119e+06 8.101917e+05 1.294320e+06 1.472778e+06 1.336025e+06 1.237793e+06 1.364290e+06 1.506677e+06 1.153240e+06 8.525942e+04 7.955153e+05 1.138237e+06 9.642443e+05 8.509483e+05 1.253828e+06 8.844235e+05 1.208544e+06 7.462202e+05 1.075511e+06 1.178703e+06 1.417331e+06 1.154398e+06 1.050355e+06 1.778994e+06 1.187240e+06 8.669683e+05 8.988365e+05 1.338184e+06 9.005512e+05 1.146752e+06 1.003737e+06 1.323938e+06 1.061210e+06 1.167329e+06 8.874788e+05 1.352507e+06 1.109620e+06 1.187047e+06 1.519368e+06 5.249079e+05 1.160191e+06 9.924609e+05 1.284265e+06 1.408800e+06 7.908817e+05 1.135212e+06 1.790948e+06 9.189807e+05 1.428808e+06 1.240933e+06 7.266529e+05 1.094126e+06 9.156441e+05 1.218590e+06 1.313201e+06 1.562359e+06 1.308781e+06 1.053691e+06 6.027041e+05 9.855689e+05 9.374098e+05 1.294951e+06 7.580698e+04 9.448441e+05 1.079313e+06 8.694268e+05 1.619437e+06 1.535304e+06 1.096750e+06 1.107085e+06 1.069448e+06 9.100989e+05 2.248777e+06 1.158146e+06 8.918167e+05 9.993813e+05 9.434914e+05 1.591375e+06 9.378690e+05 1.214346e+06 9.079485e+05 7.028814e+05 1.343687e+06 1.257538e+06 1.020657e+06 1.355508e+06 1.245921e+06 1.001709e+06 1.020921e+06 9.928841e+05 9.464274e+05 1.009807e+06 4.441610e+05 8.389442e+05 1.020453e+06 6.371238e+05 9.219805e+05 6.506024e+05 9.991555e+05 8.883392e+05 9.837611e+05 1.221028e+06 1.232981e+06 8.734845e+05 1.024428e+06 1.174364e+06 9.900995e+05 1.072315e+06 9.913756e+05 6.490547e+05 1.260107e+06 1.067265e+06 1.729677e+06 1.367957e+06 1.024672e+06 1.732292e+06 1.205311e+06 1.314232e+06 1.557596e+06 5.154848e+05 9.546738e+05 1.362327e+06 1.606112e+06 1.242198e+06 1.283877e+06 1.166000e+06 1.284842e+06 1.030461e+06 1.494082e+06 1.596830e+06 1.254318e+06 1.056298e+06 1.366730e+06 1.129323e+06 1.085498e+06 1.646626e+06 1.823156e+06 2.431578e+06 1.352541e+06 1.758526e+06 3.709466e+05 1.280937e+06 1.704365e+06 1.291779e+06 1.525898e+06 2.710936e+06 1.597105e+06 4.510496e+05 1.401151e+06 1.530534e+06 1.259169e+06 1.479561e+06 1.323457e+06 1.493827e+06 1.426112e+06 1.620493e+06 1.267279e+06 1.611732e+06 1.540810e+06 1.482516e+06 1.593137e+06 1.964804e+06 1.177785e+06 1.394080e+06 1.594175e+06 2.431507e+06 1.294333e+06 1.557985e+06 1.376799e+06 1.552280e+06 1.088312e+06 7.388798e+05 9.794508e+05 1.281562e+06 1.557296e+06 1.148366e+06 9.599992e+05 1.063133e+06 1.040963e+06 1.247727e+06 9.872315e+05 6.449364e+05 1.073867e+06 8.033258e+05 1.479680e+06 7.751487e+05 5.220310e+05 9.799673e+05 7.754552e+05 1.653247e+06 1.336081e+06 1.019352e+06 1.146616e+06 C4 H12 N7 O3 P3_1.812 5.937703e+04 2.744132e+06 3.308034e+06 2.342883e+06 6.817600e+04 2.147710e+06 1.942095e+06 2.583916e+06 73514.18 2.662023e+06 2.967310e+06 3.223690e+06 74506.26 2.547029e+06 2.054509e+06 2.438199e+06 8.276616e+04 2.286088e+06 3.067731e+06 2.409394e+06 1.598221e+05 2.527143e+06 2.842762e+06 2.869409e+06 98392.474 2.262143e+06 2.514816e+06 2.760411e+06 8.965930e+04 1.922802e+06 3.326753e+06 2.745320e+06 119133.45 2.279231e+06 2.821455e+06 2.456706e+06 1.271544e+05 2.044607e+06 2.799372e+06 2.446307e+06 9.269015e+04 2.525085e+06 3.204764e+06 2.638882e+06 5.260846e+04 2.108835e+06 3.370942e+06 1.941498e+06 1.709959e+06 2.181295e+06 2.284273e+06 2.350244e+06 2.617897e+06 2.631108e+06 2.088913e+06 2.130269e+06 3.444636e+06 2.427920e+06 2.220858e+06 1.965857e+06 2.899251e+06 2.466472e+06 1.822861e+06 2.702515e+06 3.396293e+06 1.627202e+06 2.242644e+06 3.399464e+06 2.424674e+06 2.401809e+06 2.059698e+06 3.495631e+06 3.151835e+06 2.827775e+06 2.879213e+06 2.028852e+06 2.405081e+06 2.671840e+06 1.221656e+05 2.393543e+06 2.477862e+06 2.983077e+06 2.421441e+06 2.424413e+06 1.739260e+06 2.415523e+06 2.103552e+06 2.372324e+06 2.734026e+06 2.639303e+06 2.573229e+06 2.265708e+06 2.406964e+06 2.131235e+06 2.371350e+06 2.189204e+06 2.431380e+06 1.930757e+06 3.537723e+06 2.634327e+06 2.254286e+06 2.366550e+06 2.484528e+06 2.274372e+06 2.551707e+06 2.457648e+06 2.730661e+06 3.255139e+06 1.293771e+06 2.101656e+06 2.459943e+06 2.728004e+06 2.977091e+06 2.489289e+06 2.577251e+06 3.636973e+06 2.188639e+06 3.272578e+06 2.364158e+06 2.118486e+06 2.926745e+06 2.061753e+06 1.953416e+06 2.562089e+06 2.961434e+06 4.132466e+06 2.319506e+06 2.055032e+06 2.806804e+06 2.079071e+06 2.280594e+06 1.259595e+05 2.470058e+06 2.330504e+06 1.715690e+06 3.008845e+06 3.091744e+06 2.664172e+06 2.837329e+06 1.995934e+06 2.019822e+06 4.316575e+06 4.637757e+06 2.525228e+06 2.089416e+06 1.909956e+06 2.537529e+06 2.420530e+06 3.146802e+06 2.265730e+06 2.230642e+06 2.435948e+06 3.449039e+06 2.648222e+06 2.844373e+06 3.275926e+06 2.363100e+06 2.015193e+06 2.013660e+06 2.871560e+06 2.440977e+06 2.139981e+06 1.732131e+06 1.921559e+06 1.715551e+06 2.012489e+06 2.250584e+06 2.323429e+06 2.955907e+06 2.368439e+06 2.371145e+06 2.376584e+06 2.262991e+06 1.932992e+06 2.359616e+06 2.322845e+06 3.117774e+06 2.682989e+06 2.230066e+06 4.197894e+06 2.351134e+06 3.642637e+06 2.918322e+06 1.970982e+06 4.004590e+06 2.929254e+06 3.356973e+06 3.041498e+06 2.211328e+06 2.474416e+06 3.278198e+06 2.589066e+06 2.501461e+06 3.203141e+06 2.817128e+06 2.249241e+06 2.763966e+06 2.640153e+06 3.027280e+06 3.191296e+06 2.532217e+06 2.386553e+06 2.481065e+06 3.403066e+06 2.572635e+06 2.688724e+06 2.857004e+06 2.496960e+06 4.124990e+06 2.129191e+06 2.741605e+06 3.260716e+06 2.855654e+06 3.278814e+06 5.225141e+06 2.831347e+06 2.373223e+06 4.673984e+06 2.589595e+06 2.452136e+06 3.089526e+06 2.608704e+06 2.546192e+06 3.002724e+06 3.056813e+06 2.344566e+06 2.765932e+06 2.846550e+06 2.820448e+06 2.796304e+06 3.524290e+06 3.135177e+06 2.832568e+06 3.698827e+06 3.264962e+06 3.449456e+06 2.693668e+06 4.147083e+06 2.823140e+06 2.277101e+06 2.453763e+06 2.289930e+06 2.682382e+06 2.759332e+06 2.312032e+06 2.137812e+06 2.711986e+06 2.854137e+06 2.569923e+06 2.116216e+06 2.407880e+06 2.233190e+06 2.369533e+06 1.969872e+06 2.948027e+06 1.746266e+06 2.465744e+06 2.305976e+06 2.473291e+06 3.225924e+06 2.365933e+06 2.692218e+06 460.12318_1.813 1.008791e+05 5.097915e+07 5.788805e+07 6.326347e+07 1.139173e+05 4.159128e+07 6.633168e+07 6.737118e+07 76036.01 6.595112e+07 4.892886e+07 6.034271e+07 69284.69 6.616768e+07 6.147311e+07 5.869196e+07 6.988388e+04 4.201615e+07 5.270421e+07 5.539670e+07 1.213639e+05 7.721764e+07 6.648847e+07 6.825353e+07 80307.912 4.142795e+07 6.624730e+07 5.422396e+07 7.892152e+04 4.719085e+07 4.605400e+07 6.375793e+07 88959.59 7.315424e+07 5.793878e+07 4.556510e+07 8.611877e+04 7.492103e+07 6.237009e+07 4.732752e+07 7.452877e+04 6.671113e+07 4.367715e+07 6.857013e+07 4.826076e+04 6.371091e+07 6.639182e+07 4.781691e+07 3.131206e+07 3.804203e+07 3.087468e+07 4.392328e+07 3.802644e+07 4.210251e+07 5.396323e+07 3.790967e+07 5.708750e+07 5.038770e+07 4.684500e+07 5.889746e+07 5.765863e+07 3.840650e+07 4.972964e+07 5.637277e+07 4.587580e+07 2.488095e+07 4.927762e+07 4.927160e+07 5.794708e+07 6.482941e+07 5.607079e+07 7.500769e+07 6.040570e+07 7.005372e+07 5.126808e+07 5.327044e+07 6.413648e+07 6.535221e+07 1.469398e+05 4.171019e+07 4.745952e+07 4.118547e+07 3.657393e+07 4.214965e+07 3.645311e+07 5.652790e+07 3.453556e+07 4.899320e+07 4.926762e+07 7.097758e+07 4.025768e+07 5.986843e+07 6.382054e+07 4.991717e+07 4.987767e+07 3.644152e+07 4.413557e+07 1.296773e+07 5.776893e+07 4.398453e+07 5.390949e+07 5.580531e+07 5.564686e+07 4.495944e+07 6.141892e+07 3.815154e+07 4.425433e+07 6.091951e+07 2.002764e+07 3.123611e+07 3.628268e+07 5.501711e+07 8.665411e+07 3.054664e+07 5.006815e+07 7.448160e+07 4.634825e+07 5.151516e+07 4.041257e+07 3.856215e+07 4.134859e+07 2.929438e+07 3.270574e+07 5.587029e+07 5.200361e+07 5.623242e+07 4.557052e+07 2.720085e+07 4.429750e+07 3.645336e+07 6.094216e+07 8.471623e+04 3.382618e+07 4.799079e+07 3.866349e+07 5.670550e+07 7.232736e+07 5.965671e+07 6.318832e+07 4.232713e+07 2.103066e+07 9.853123e+07 5.112310e+07 3.576095e+07 4.746972e+07 4.391185e+07 3.898955e+07 4.218552e+07 7.012877e+07 4.973457e+07 3.759896e+07 5.594018e+07 5.878989e+07 4.507527e+07 5.302874e+07 6.261955e+07 4.739612e+07 4.646447e+07 5.965659e+07 5.232146e+07 4.453338e+07 2.783747e+07 2.949447e+07 3.810120e+07 2.658799e+07 3.839806e+07 3.317818e+07 4.437253e+07 3.421965e+07 4.396695e+07 5.004939e+07 4.321919e+07 3.785340e+07 4.435897e+07 5.383492e+07 4.020767e+07 5.269605e+07 4.564253e+07 4.065742e+07 7.024280e+07 2.341426e+07 8.439279e+07 6.932370e+07 6.128632e+07 7.512275e+07 6.181747e+07 6.674837e+07 6.371848e+07 6.594013e+07 5.061430e+07 8.944268e+07 8.111762e+07 5.941742e+07 6.209810e+07 6.843290e+07 6.822244e+07 6.986077e+07 9.326942e+07 7.891882e+07 5.316338e+07 7.486104e+07 8.775726e+07 4.687953e+07 6.786802e+07 1.097741e+08 8.081447e+07 1.025113e+08 7.358799e+07 1.026695e+08 6.290780e+07 4.361888e+07 9.094611e+07 7.105811e+07 8.097516e+07 1.088547e+08 6.404151e+07 6.652499e+07 6.738186e+07 8.907172e+07 6.911494e+07 8.765723e+07 6.724752e+07 6.929533e+07 7.434138e+07 7.431052e+07 8.551488e+07 6.788464e+07 5.682394e+07 8.803504e+07 7.350626e+07 9.127500e+07 2.411978e+07 6.917609e+07 7.037261e+07 1.099837e+08 5.774418e+07 9.581337e+07 6.292952e+07 9.423211e+07 5.250844e+07 4.750037e+07 4.648352e+07 7.617881e+07 8.943244e+07 5.879493e+07 3.612455e+07 5.891656e+07 4.021832e+07 6.451303e+07 5.694476e+07 3.608523e+07 4.514359e+07 5.025474e+07 4.518669e+07 7.001432e+07 2.246513e+07 3.090488e+07 3.169229e+07 4.361375e+07 6.881481e+07 4.976608e+07 7.762832e+07 C8 H12 O2_1.813 2.542210e+05 2.112728e+06 2.267953e+06 6.069281e+06 7.580550e+04 1.660190e+06 3.882232e+06 2.861508e+06 98397.82 2.913216e+06 3.299275e+06 3.539753e+06 198160.62 3.501715e+06 2.860860e+06 3.074813e+06 1.473705e+05 2.590318e+06 3.098490e+06 2.495059e+06 2.095408e+05 2.496982e+06 3.987662e+06 5.368452e+06 119104.247 2.037682e+06 3.264771e+06 2.565791e+06 1.397789e+05 2.168999e+06 2.917290e+06 4.731223e+06 344933.15 2.653681e+06 3.697361e+06 3.186063e+06 3.535954e+05 2.746540e+06 2.599795e+06 2.608632e+06 1.531665e+05 2.135400e+06 2.373972e+06 6.181692e+06 7.210908e+04 2.239896e+06 4.186872e+06 1.694685e+06 1.004474e+06 3.034383e+06 1.999286e+06 3.240356e+06 1.963098e+06 2.448467e+06 4.205157e+06 1.473789e+06 2.702974e+06 3.342019e+06 3.324576e+06 3.755093e+06 4.392730e+06 2.050046e+06 3.569784e+06 5.273583e+06 3.793630e+06 1.000306e+06 4.735674e+06 2.175765e+06 3.671561e+06 2.181577e+06 3.508049e+06 4.303551e+06 4.698478e+06 4.569035e+06 3.143817e+06 4.024499e+06 2.399498e+06 3.277802e+06 3.636370e+06 2.935129e+06 2.952936e+06 3.988857e+06 1.918327e+06 2.220362e+06 1.761189e+06 1.395736e+06 9.405837e+05 1.699831e+06 2.935294e+06 5.892401e+06 5.807740e+06 3.243305e+06 4.105672e+06 3.445173e+06 2.094941e+06 2.758711e+06 2.912207e+06 7.122073e+05 4.258463e+06 3.324602e+06 2.759230e+06 3.924026e+06 8.199516e+05 4.484736e+06 3.246007e+06 4.604850e+06 1.912104e+06 2.384500e+06 8.693045e+05 1.333908e+06 1.632153e+06 4.957008e+06 5.246109e+06 1.865076e+06 2.424834e+06 1.002316e+06 2.434893e+06 1.431418e+06 1.198126e+06 1.889229e+06 7.335974e+05 8.357219e+05 7.061509e+05 4.151990e+06 1.331734e+06 2.300518e+06 4.361645e+06 8.531530e+05 1.502506e+06 2.618563e+06 2.099155e+06 2.488315e+05 1.119227e+06 3.043249e+06 1.688567e+06 2.036304e+06 3.035304e+06 2.024346e+06 1.011859e+06 2.007429e+06 1.472241e+06 4.843093e+06 1.779287e+06 1.311466e+06 1.633281e+06 1.669404e+06 2.308040e+06 1.571717e+06 6.087950e+06 3.377414e+06 1.637803e+06 2.921024e+06 1.088277e+06 2.040815e+06 2.475790e+06 3.443996e+06 4.667535e+06 3.696615e+06 5.173633e+06 2.945647e+06 2.392632e+06 2.425951e+06 3.445606e+06 1.159678e+06 7.718767e+06 2.130224e+06 2.024009e+06 1.508073e+06 1.234286e+06 2.240996e+06 5.414472e+06 2.054126e+06 2.951568e+06 1.679514e+06 1.131065e+06 1.710794e+06 2.902066e+06 7.985964e+06 3.930529e+06 6.625753e+06 7.297514e+06 2.131102e+06 2.849375e+06 5.068864e+06 6.081360e+06 4.525221e+06 3.446613e+06 2.226832e+06 8.277863e+06 2.543364e+06 8.315668e+06 2.783795e+06 2.210989e+06 4.303825e+06 2.073664e+07 3.216021e+06 7.302559e+06 5.807318e+06 7.284705e+06 1.027313e+07 8.478159e+06 8.377448e+06 4.182546e+06 4.535899e+06 4.758929e+06 4.358060e+06 3.780879e+06 2.596079e+06 4.017476e+06 4.467879e+06 3.189861e+06 6.592916e+06 3.012650e+06 3.743686e+06 2.063337e+06 5.123254e+06 4.699718e+06 2.545118e+06 6.820997e+06 3.158627e+06 3.547255e+06 4.207522e+06 2.454707e+06 2.188159e+06 6.139245e+06 6.182499e+06 4.130185e+06 6.139624e+06 1.495830e+07 5.971113e+06 6.292771e+06 3.830173e+06 2.489085e+06 5.646211e+06 4.373949e+06 3.367979e+06 1.896747e+06 2.132484e+06 2.921632e+06 2.123052e+06 3.260744e+06 2.282004e+06 2.568701e+06 3.992414e+06 2.112902e+06 1.537261e+06 5.642584e+06 1.784212e+06 2.931726e+06 4.176373e+06 4.470199e+06 5.457254e+06 2.897915e+06 2.177812e+06 9.690700e+06 1.530413e+06 1.372373e+06 2.088808e+06 2.800478e+06 2.986533e+06 3.245161e+06 3.075172e+06 C19 H45 N4 O P3_1.813 8.678479e+04 4.417637e+06 3.809793e+06 4.128924e+06 8.707047e+04 1.938405e+06 4.143437e+06 4.295601e+06 80948.40 4.034493e+06 3.829802e+06 4.041072e+06 97244.07 3.840931e+06 3.764838e+06 3.301323e+06 1.203844e+05 2.768674e+06 3.778102e+06 4.417647e+06 1.964337e+05 3.517257e+06 4.201827e+06 4.153353e+06 123473.692 3.779623e+06 3.984674e+06 2.548265e+06 1.253851e+05 4.334466e+06 3.738560e+06 3.828001e+06 172710.70 3.886547e+06 3.631448e+06 3.635420e+06 1.724300e+05 3.796437e+06 4.255375e+06 3.938262e+06 1.309147e+05 2.687701e+06 4.576311e+06 4.074658e+06 7.481584e+04 3.534928e+06 4.839097e+06 2.544392e+06 2.675144e+06 4.520573e+06 1.129428e+06 1.360948e+06 8.968562e+05 3.105985e+06 1.011190e+06 1.052306e+06 9.097402e+05 9.069482e+05 1.312779e+06 4.045029e+06 1.631421e+06 1.676734e+06 2.356104e+06 1.469852e+06 1.312624e+06 2.185944e+06 3.750836e+06 1.179510e+06 1.362263e+06 1.276802e+06 1.442064e+06 1.857109e+06 2.093290e+06 2.146265e+06 3.395972e+06 3.903800e+06 4.080344e+06 4.231437e+06 9.579563e+05 3.942751e+06 3.967163e+06 4.010819e+06 2.929749e+06 4.697830e+06 2.666283e+06 3.380850e+06 2.489814e+06 1.836710e+06 2.156637e+06 2.845294e+06 4.682896e+06 3.540760e+06 4.069351e+06 2.708312e+06 4.103109e+06 3.326969e+06 3.482388e+06 3.795053e+06 2.926907e+06 3.121643e+06 2.704616e+06 3.758723e+06 3.063192e+06 2.927294e+06 2.730002e+06 3.339834e+06 2.185257e+06 3.298727e+06 2.032889e+06 2.599470e+06 4.460246e+06 4.349692e+06 3.297381e+06 3.628233e+06 4.766851e+06 3.247581e+06 5.772698e+06 3.569628e+06 3.805624e+06 3.966079e+06 1.806178e+06 1.841984e+06 1.640048e+06 5.392481e+06 4.511112e+06 3.711827e+06 8.010024e+06 2.365254e+06 4.215685e+06 5.086534e+06 4.221928e+06 3.454102e+05 2.720731e+06 3.882950e+06 3.433987e+06 5.164898e+06 4.936727e+06 5.119746e+06 3.962515e+06 4.505723e+06 6.127687e+05 5.778020e+06 6.627893e+06 3.997791e+05 6.313711e+05 1.188048e+06 1.201530e+06 1.227162e+06 1.413931e+06 1.557974e+06 1.443624e+06 2.585326e+06 2.092921e+06 3.781384e+06 2.565108e+06 3.284744e+06 6.117990e+06 6.209895e+06 3.659497e+06 3.782983e+06 3.360435e+06 4.060587e+06 2.235163e+06 3.126382e+06 3.870637e+06 3.434887e+06 1.928227e+06 2.909168e+06 2.722739e+06 3.369453e+06 2.979794e+06 2.272281e+06 4.071481e+06 2.767771e+06 5.925854e+06 4.773540e+06 2.197448e+06 1.790090e+06 2.087938e+06 1.907607e+06 3.818636e+06 3.629115e+06 3.110249e+06 3.789172e+06 4.262675e+06 4.788293e+06 3.949913e+06 4.124609e+06 6.057169e+06 2.186514e+06 4.410623e+06 2.678663e+06 8.225217e+05 5.371319e+06 6.217566e+06 2.959815e+06 3.975605e+06 5.488972e+06 3.300406e+06 3.774340e+06 4.946629e+06 5.080911e+06 3.317638e+06 2.148784e+06 3.378989e+06 3.459863e+06 4.845742e+06 2.296355e+06 5.272656e+06 1.988378e+06 2.378085e+06 4.116088e+06 3.235832e+06 4.661114e+06 5.120771e+06 4.784910e+06 7.380655e+06 5.475363e+06 5.276991e+06 3.592380e+06 5.432401e+06 3.826579e+06 2.981312e+06 5.060652e+06 5.588324e+06 6.022564e+06 6.751779e+06 5.491131e+06 6.264246e+06 4.824131e+06 5.840784e+06 3.920303e+06 1.803357e+06 4.859697e+06 6.002430e+06 2.662756e+06 2.859935e+06 2.473920e+06 4.281465e+06 2.388049e+06 4.613387e+06 9.787921e+06 1.125568e+07 1.128526e+07 7.471118e+06 8.661618e+06 1.248068e+07 9.093063e+06 1.056949e+07 1.501897e+07 1.021895e+07 1.354429e+06 9.435858e+06 3.636708e+06 2.077196e+07 1.470139e+06 9.316177e+05 1.159469e+06 3.763700e+06 8.078078e+06 9.333116e+06 1.201009e+07 Isoscoparin_1.813 8.491040e+04 5.039219e+07 5.269991e+07 6.033754e+07 1.011545e+05 2.410434e+07 6.261478e+07 5.590396e+07 77319.40 5.038943e+07 4.899326e+07 5.347307e+07 72201.86 5.541674e+07 5.236636e+07 5.361869e+07 7.346998e+04 3.230960e+07 4.798824e+07 4.776718e+07 1.268186e+05 6.820121e+07 5.599649e+07 5.573825e+07 82423.597 3.877396e+07 5.489669e+07 5.426586e+07 7.846365e+04 3.847815e+07 4.441629e+07 5.110282e+07 90624.06 6.111592e+07 5.229276e+07 4.047656e+07 8.721522e+04 6.279374e+07 4.991363e+07 4.494608e+07 7.321762e+04 6.098811e+07 3.551347e+07 5.822309e+07 4.910414e+04 6.082150e+07 5.627950e+07 3.747532e+07 2.261703e+07 3.661279e+07 2.542228e+07 3.779858e+07 3.590099e+07 4.141948e+07 5.016179e+07 2.051759e+07 5.119973e+07 4.748008e+07 3.902208e+07 5.265782e+07 4.831660e+07 2.631680e+07 4.358592e+07 4.669393e+07 3.784049e+07 2.352220e+07 4.473086e+07 4.256364e+07 4.944354e+07 5.221507e+07 4.696167e+07 6.262357e+07 7.079870e+07 6.037280e+07 4.909297e+07 4.974160e+07 4.889413e+07 5.394142e+07 1.516160e+05 3.671005e+07 4.180599e+07 2.977613e+07 3.112839e+07 3.895596e+07 2.822251e+07 4.681853e+07 3.366071e+07 4.339656e+07 5.111398e+07 5.920306e+07 2.894712e+07 5.147058e+07 5.113476e+07 5.854939e+07 4.223692e+07 3.068330e+07 4.479998e+07 3.707732e+07 5.371451e+07 4.180921e+07 4.799929e+07 4.430946e+07 4.703393e+07 3.664368e+07 5.464914e+07 4.419729e+07 4.236806e+07 5.413188e+07 1.967448e+07 2.563531e+07 2.736113e+07 5.671883e+07 7.219672e+07 2.126249e+07 4.130229e+07 6.523680e+07 4.374433e+07 4.217471e+07 3.509097e+07 3.518013e+07 3.384149e+07 2.296035e+07 2.598636e+07 5.072288e+07 4.304981e+07 4.678023e+07 4.235685e+07 2.695689e+07 3.589969e+07 2.588783e+07 5.025647e+07 8.608094e+04 3.251458e+07 4.113645e+07 3.247706e+07 5.109176e+07 6.378789e+07 5.212911e+07 5.390130e+07 3.250021e+07 1.716081e+07 7.825847e+07 4.935082e+07 2.602007e+07 3.371874e+07 3.921226e+07 3.904655e+07 3.560086e+07 5.972688e+07 4.292562e+07 3.468288e+07 4.597591e+07 4.824173e+07 4.023342e+07 5.471422e+07 5.912314e+07 3.753473e+07 4.572407e+07 4.945944e+07 4.638860e+07 3.785225e+07 2.106656e+07 2.864002e+07 3.168017e+07 2.112670e+07 3.016134e+07 3.396503e+07 3.861768e+07 2.722823e+07 3.682020e+07 5.146416e+07 4.723859e+07 3.373683e+07 4.184362e+07 5.066825e+07 3.929967e+07 4.722802e+07 3.920090e+07 3.803245e+07 5.897215e+07 5.720682e+07 8.525821e+07 6.316707e+07 6.121329e+07 6.085238e+07 5.340143e+07 6.453483e+07 6.273306e+07 7.609035e+07 3.848500e+07 7.271038e+07 8.136577e+07 5.107456e+07 5.409071e+07 5.776130e+07 5.579609e+07 6.855680e+07 7.208307e+07 6.588435e+07 6.736500e+07 5.900855e+07 7.975055e+07 3.964083e+07 5.209683e+07 7.390982e+07 6.925252e+07 8.439871e+07 6.130862e+07 8.300530e+07 7.233076e+07 5.341563e+07 7.503575e+07 6.682575e+07 6.547614e+07 9.829622e+07 5.567720e+07 7.143654e+07 5.397351e+07 8.484516e+07 6.531545e+07 6.754005e+07 3.879891e+07 5.806916e+07 5.656928e+07 6.363223e+07 7.328679e+07 5.023356e+07 5.605751e+07 6.966848e+07 7.161208e+07 7.560997e+07 5.528262e+07 5.828513e+07 6.637531e+07 8.680499e+07 5.194439e+07 1.016401e+08 7.167711e+07 7.297864e+07 4.576722e+07 4.230911e+07 4.385292e+07 7.442969e+07 6.206300e+07 5.345790e+07 3.167710e+07 5.486735e+07 4.071454e+07 5.460947e+07 5.054692e+07 3.562132e+07 3.957851e+07 4.915720e+07 4.747961e+07 7.067732e+07 2.262954e+07 3.163564e+07 2.825545e+07 5.736444e+07 6.318934e+07 4.625485e+07 6.343761e+07 C21 H45 N O9_1.814 5.732438e+04 3.997990e+06 3.429509e+06 3.714552e+06 4.739989e+04 1.583958e+06 3.748210e+06 3.862523e+06 44782.93 3.644734e+06 3.463628e+06 3.513180e+06 57988.78 3.381090e+06 3.428575e+06 2.964673e+06 6.791223e+04 2.385697e+06 3.352414e+06 3.943412e+06 1.090714e+05 3.281178e+06 3.699092e+06 3.646546e+06 68156.127 3.440361e+06 3.554151e+06 2.182358e+06 6.890108e+04 3.962172e+06 3.446919e+06 3.312340e+06 95477.39 3.546231e+06 3.176023e+06 3.144971e+06 9.523882e+04 3.473360e+06 3.829043e+06 3.576039e+06 7.156026e+04 2.328791e+06 4.133007e+06 3.506427e+06 4.084357e+04 3.292846e+06 4.409542e+06 2.153693e+06 2.382486e+06 3.971340e+06 9.202826e+05 1.228374e+06 7.683214e+05 2.791716e+06 9.185199e+05 8.083315e+05 8.005837e+05 7.750412e+05 1.099713e+06 3.559539e+06 1.239851e+06 1.417929e+06 2.142997e+06 1.055963e+06 1.113863e+06 1.736212e+06 3.253569e+06 1.052717e+06 1.243348e+06 1.073848e+06 1.276907e+06 1.510737e+06 1.905467e+06 1.983961e+06 3.000502e+06 3.474761e+06 3.685217e+06 3.747122e+06 8.719462e+05 3.546678e+06 3.572458e+06 3.609527e+06 2.693101e+06 4.255397e+06 2.413427e+06 3.019422e+06 2.210369e+06 1.731986e+06 1.773955e+06 2.494957e+06 4.136617e+06 3.084854e+06 3.658062e+06 2.444901e+06 3.611564e+06 2.955881e+06 2.992903e+06 3.337827e+06 2.565218e+06 2.871856e+06 2.435273e+06 3.501851e+06 2.838829e+06 2.717006e+06 2.484191e+06 2.979506e+06 2.053253e+06 2.969099e+06 1.819438e+06 2.284716e+06 4.051624e+06 3.747260e+06 2.983478e+06 3.214330e+06 4.218941e+06 2.947055e+06 5.173523e+06 3.260984e+06 3.463723e+06 3.400758e+06 1.659544e+06 1.633063e+06 1.539354e+06 4.562453e+06 4.035727e+06 3.312613e+06 6.811338e+06 2.196697e+06 3.808669e+06 4.574568e+06 3.790836e+06 2.591614e+05 2.554380e+06 3.487588e+06 3.008927e+06 4.631749e+06 4.295265e+06 4.547816e+06 3.557417e+06 3.895837e+06 5.069067e+05 4.941668e+06 5.829688e+06 3.075905e+05 4.919560e+05 1.070022e+06 1.032729e+06 1.106091e+06 1.267482e+06 1.340208e+06 1.326104e+06 2.211874e+06 1.968049e+06 3.457855e+06 2.416991e+06 2.969747e+06 5.530756e+06 5.588499e+06 2.590887e+06 3.427914e+06 3.142005e+06 3.584402e+06 1.899657e+06 2.721719e+06 3.320336e+06 3.102131e+06 1.767479e+06 2.621155e+06 2.424709e+06 3.040755e+06 2.581395e+06 1.953218e+06 3.593191e+06 2.451972e+06 5.189251e+06 4.335661e+06 2.011892e+06 1.396004e+06 1.719366e+06 1.781382e+06 3.486083e+06 3.281960e+06 2.704227e+06 3.545274e+06 3.790768e+06 4.396871e+06 3.512312e+06 3.696123e+06 5.491783e+06 2.023020e+06 4.134898e+06 2.343160e+06 6.928839e+05 4.792173e+06 5.435068e+06 2.541152e+06 3.237132e+06 4.880718e+06 3.120828e+06 3.152388e+06 4.463812e+06 4.588839e+06 3.160318e+06 1.870550e+06 3.121277e+06 3.125041e+06 4.429927e+06 2.133380e+06 4.714439e+06 1.804222e+06 2.097438e+06 3.627503e+06 2.947794e+06 4.239594e+06 4.493813e+06 4.216954e+06 6.996045e+06 4.984469e+06 4.678043e+06 3.117372e+06 4.902460e+06 3.547110e+06 2.819163e+06 4.539400e+06 4.955373e+06 5.344113e+06 6.046853e+06 4.930535e+06 5.475479e+06 4.354597e+06 5.189673e+06 3.212223e+06 1.620789e+06 4.238346e+06 5.248900e+06 2.469369e+06 2.609620e+06 2.282508e+06 3.726949e+06 2.044400e+06 4.106815e+06 8.417246e+06 9.656322e+06 9.753431e+06 6.508889e+06 7.617032e+06 1.071906e+07 7.911934e+06 9.138791e+06 1.366699e+07 9.041103e+06 1.225508e+06 8.057943e+06 3.281493e+06 1.761096e+07 1.340405e+06 8.417557e+05 8.407567e+05 3.544070e+06 6.955047e+06 8.036076e+06 1.075578e+07 C29 H42 N6 O2 P2 S_1.815 7.163319e+04 8.891168e+05 9.163580e+05 1.036555e+06 3.353470e+04 6.412234e+05 1.133431e+06 1.146213e+06 34263.30 8.211594e+05 8.808513e+05 1.159876e+06 43325.49 8.436644e+05 8.223171e+05 9.220371e+05 5.151195e+04 8.313925e+05 9.584082e+05 1.031994e+06 9.123213e+04 6.166040e+05 1.053172e+06 1.330710e+06 55837.617 7.533602e+05 9.736457e+05 8.147385e+05 5.712528e+04 8.109777e+05 8.698948e+05 1.366731e+06 77722.01 6.725217e+05 1.036770e+06 8.558380e+05 9.447880e+04 8.148262e+05 1.056315e+06 1.088159e+06 7.424681e+04 5.441217e+05 9.447670e+05 1.270946e+06 3.661934e+04 7.817170e+05 1.046906e+06 7.988137e+05 2.285269e+05 2.527034e+05 1.849703e+05 9.124981e+05 1.217379e+05 1.125966e+05 6.712699e+05 1.868421e+05 9.772338e+04 3.026263e+05 2.034404e+05 4.023027e+05 2.647118e+06 1.625780e+06 8.347946e+05 6.569327e+05 1.134557e+06 4.453869e+05 1.008326e+05 1.181450e+06 1.107612e+05 4.006532e+05 1.543975e+06 1.070443e+06 3.290345e+05 5.899587e+05 2.574412e+05 4.560845e+05 8.453634e+05 1.108791e+05 1.395225e+06 3.504508e+05 2.842495e+05 2.120482e+05 4.010152e+05 4.889987e+05 1.081368e+06 1.163524e+05 1.650383e+05 9.941235e+04 9.230517e+04 3.377177e+05 5.205204e+05 2.805198e+05 1.110668e+05 1.839451e+05 1.257225e+05 3.385477e+05 2.001425e+05 1.424105e+06 6.028259e+05 7.792832e+05 9.786213e+04 1.691803e+05 8.401622e+05 1.213383e+05 3.077040e+05 2.006179e+05 1.128904e+05 1.238881e+05 9.258224e+06 2.212047e+05 1.585438e+05 1.355051e+05 1.764318e+05 3.024798e+05 1.600846e+05 1.695278e+05 3.233560e+05 3.176668e+05 2.606020e+05 1.723309e+06 3.603989e+05 1.165122e+05 8.525457e+04 1.089040e+05 2.184137e+05 1.934110e+05 2.425556e+05 3.161166e+05 2.431412e+05 1.030080e+06 4.673425e+05 1.073807e+05 1.165113e+05 7.449737e+05 4.649220e+05 1.010467e+05 6.881587e+05 9.071167e+04 1.571696e+05 1.322279e+06 1.321949e+05 1.407831e+05 2.596697e+05 1.132433e+05 1.231915e+05 1.751247e+05 1.234324e+05 1.008234e+05 1.068571e+05 1.911041e+05 2.441097e+05 2.065005e+05 9.452170e+04 7.308141e+05 1.324985e+05 7.887904e+04 1.606377e+05 5.053110e+05 7.072701e+05 6.671688e+05 1.133809e+05 3.933586e+05 7.531177e+04 1.103660e+05 2.213470e+05 1.096712e+06 1.042533e+06 2.188516e+05 1.151559e+05 3.193642e+05 4.805790e+05 2.919012e+05 2.844807e+05 2.084466e+05 2.417310e+05 2.503627e+05 1.153726e+05 1.794859e+05 2.008286e+05 3.338546e+05 3.461641e+05 1.274096e+05 1.296708e+05 3.527627e+05 2.676706e+05 2.141956e+05 3.445328e+05 1.968762e+05 9.243347e+05 6.711918e+05 2.555498e+05 1.790908e+05 1.301985e+05 2.142572e+05 9.570013e+05 3.019967e+05 1.795894e+05 1.671086e+05 3.977896e+05 8.290754e+05 4.275674e+05 1.895641e+05 1.706716e+05 8.525253e+05 1.154453e+05 3.413212e+05 8.730219e+05 1.025764e+05 1.622221e+06 1.247905e+05 1.375323e+06 2.734567e+05 1.976256e+05 1.239544e+05 1.331028e+05 1.351034e+05 3.751779e+05 5.778429e+05 4.068864e+05 1.536937e+06 3.250472e+05 2.953360e+05 4.305297e+05 1.425354e+05 2.171822e+05 7.294826e+05 3.161031e+05 2.082990e+05 1.381678e+05 2.794809e+05 1.435837e+06 1.694862e+05 1.402742e+05 1.485273e+05 1.480668e+06 1.850111e+05 1.948766e+05 1.628734e+05 2.285387e+05 5.188099e+05 7.701931e+05 2.356330e+06 1.235957e+05 7.398939e+05 1.975086e+05 2.129862e+06 7.690463e+05 1.368704e+06 1.514493e+05 1.650502e+05 7.372464e+05 1.226501e+06 4.809324e+05 3.825183e+05 1.309693e+06 5.451073e+06 8.736462e+05 2.866077e+06 1.329245e+05 2.085533e+05 8.741181e+05 2.175216e+06 N-Acetylgalactosamine 6-sulfate_1.815 7.894468e+04 8.177170e+06 7.921885e+06 5.964740e+06 1.057089e+05 3.717619e+06 6.235287e+06 7.486867e+06 76462.66 5.832636e+06 8.683302e+06 7.110201e+06 76000.90 5.803339e+06 6.376126e+06 7.218089e+06 8.641486e+04 5.669584e+06 6.020824e+06 6.504222e+06 1.751845e+05 7.058020e+06 7.511093e+06 6.344879e+06 111929.250 6.849813e+06 6.234775e+06 6.822834e+06 1.072601e+05 6.400272e+06 5.707633e+06 7.996715e+06 139891.87 6.675840e+06 6.203694e+06 6.471365e+06 1.441625e+05 6.389772e+06 7.829975e+06 5.758330e+06 1.150267e+05 6.683788e+06 6.326869e+06 7.364071e+06 6.688115e+04 6.410361e+06 7.481171e+06 5.809404e+06 5.704008e+06 5.122282e+06 6.113146e+06 6.195468e+06 5.295188e+06 6.525519e+06 6.917931e+06 7.039756e+06 7.404291e+06 7.561849e+06 6.263416e+06 5.205232e+06 6.855523e+06 5.915183e+06 5.569687e+06 5.977624e+06 5.818659e+06 5.004918e+06 5.995418e+06 6.584755e+06 6.347330e+06 6.331838e+06 9.431608e+06 5.997236e+06 8.570032e+06 7.398781e+06 6.276428e+06 6.021813e+06 6.453515e+06 7.422294e+06 1.254195e+05 5.718443e+06 5.972780e+06 6.470539e+06 5.786884e+06 6.038583e+06 5.933952e+06 5.657815e+06 4.668446e+06 6.057306e+06 6.422693e+06 6.110880e+06 5.809340e+06 5.886330e+06 5.912914e+06 5.937677e+06 6.662545e+06 5.915135e+06 6.450056e+06 5.647895e+06 5.580868e+06 5.350121e+06 7.349196e+06 5.691153e+06 6.307862e+06 5.000653e+06 7.564299e+06 6.156705e+06 7.054163e+06 7.345612e+06 3.945481e+06 5.584470e+06 5.504540e+06 5.961260e+06 6.850564e+06 5.478265e+06 7.507915e+06 7.347927e+06 6.298011e+06 5.969092e+06 5.207906e+06 6.372941e+06 5.336843e+06 5.288213e+06 5.904993e+06 6.005584e+06 6.036422e+06 6.809064e+06 5.541784e+06 5.207699e+06 5.087048e+06 5.193526e+06 6.139966e+06 1.427066e+05 5.398588e+06 5.863326e+06 5.368716e+06 6.608653e+06 8.141367e+06 6.553209e+06 6.876509e+06 4.989956e+06 5.077954e+06 8.812097e+06 6.124407e+06 5.161988e+06 5.450717e+06 5.776048e+06 7.215143e+06 5.380500e+06 5.880506e+06 6.328379e+06 5.360474e+06 5.351445e+06 5.725421e+06 6.925247e+06 6.625003e+06 6.643639e+06 5.610960e+06 5.859984e+06 7.449703e+06 5.990543e+06 4.650157e+06 5.096250e+06 5.419992e+06 8.050380e+06 5.351708e+06 5.438880e+06 4.588003e+06 6.485924e+06 5.259640e+06 6.075330e+06 5.914295e+06 6.005735e+06 5.544078e+06 5.870566e+06 6.781522e+06 6.352937e+06 6.611426e+06 5.981661e+06 7.069742e+06 6.982740e+06 5.416656e+06 9.057020e+06 7.629111e+06 4.875829e+06 5.882385e+06 7.587886e+06 5.499855e+06 8.353763e+06 6.224253e+06 5.074708e+06 7.175428e+06 6.692892e+06 7.992479e+06 6.528030e+06 5.538072e+06 5.832508e+06 8.049187e+06 6.714895e+06 8.293079e+06 6.623544e+06 5.405642e+06 6.613108e+06 5.468914e+06 9.416070e+06 8.812207e+06 7.976980e+06 9.818071e+06 4.769799e+06 7.858990e+06 6.556215e+06 6.511482e+06 9.962085e+06 6.311627e+06 8.225081e+06 1.095700e+07 7.002291e+06 1.145811e+06 7.718512e+06 9.603598e+06 6.627015e+06 7.238269e+06 7.014996e+06 5.966957e+06 7.374529e+06 6.553893e+06 5.304704e+06 6.830035e+06 8.564484e+06 7.798536e+06 7.807539e+06 7.821187e+06 7.750988e+06 7.285300e+06 6.566068e+06 8.618454e+06 5.605740e+06 9.112072e+06 8.213403e+06 6.524419e+06 6.501719e+06 6.435776e+06 6.236996e+06 6.793472e+06 7.939286e+06 5.645945e+06 8.813246e+06 6.905659e+06 6.212414e+06 6.913409e+06 6.491505e+06 6.039627e+06 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1.507308e+06 1.501648e+06 1.214939e+06 1.520983e+06 1.579040e+06 1.768928e+06 1.617915e+06 1.436058e+06 1.685846e+06 1.254275e+06 2.133647e+06 2.342258e+06 2.160552e+06 1.857427e+06 2.348458e+06 2.016501e+06 1.603837e+06 1.594230e+06 2.490984e+06 1.934714e+06 1.819596e+06 1.805553e+06 9.341966e+05 1.583122e+06 1.914837e+06 2.114731e+06 1.796998e+06 1.538720e+06 1.733502e+06 1.967059e+06 1.000299e+06 1.544513e+06 1.306303e+06 1.655201e+06 1.247212e+06 1.672686e+06 2.309564e+06 2.056580e+06 6.395223e+05 1.683598e+06 2.335900e+06 2.064161e+06 1.478775e+06 2.795452e+06 1.297862e+06 2.008106e+06 1.885238e+06 1.434046e+06 1.326372e+06 1.988116e+06 2.085382e+06 1.550888e+06 1.585683e+06 1.794660e+06 1.213054e+06 1.737525e+06 1.396765e+06 1.152241e+06 1.432807e+06 1.398718e+06 1.943535e+06 1.661726e+06 9.277768e+05 1.443651e+06 9.687888e+05 1.346504e+06 1.969645e+06 1.660570e+06 1.609694e+06 C8 H17 O5 P_1.818 3.461189e+04 3.311289e+05 3.489134e+05 2.613630e+05 3.979434e+04 1.571095e+05 2.661267e+05 3.171811e+05 39808.14 3.013844e+05 3.013435e+05 3.200041e+05 47867.71 3.056657e+05 2.816905e+05 1.991443e+05 5.620871e+04 2.417943e+05 2.825804e+05 3.458859e+05 8.857073e+04 1.488918e+05 4.250523e+05 2.970730e+05 54268.679 2.820254e+05 3.090367e+05 2.827986e+05 6.449818e+04 2.158697e+05 1.781868e+05 3.788182e+05 97561.80 1.515146e+05 3.121307e+05 2.452745e+05 1.213079e+05 3.808133e+05 1.876803e+05 2.224160e+05 9.663113e+04 1.548684e+05 1.765922e+05 3.959608e+05 4.450324e+04 2.183618e+05 4.143889e+05 1.694267e+05 1.546170e+05 2.587371e+05 1.987710e+05 7.249455e+05 4.865612e+05 2.169418e+05 1.033511e+05 8.492216e+05 2.805688e+05 3.559596e+05 3.024833e+05 4.421271e+05 5.621717e+05 4.173386e+05 5.767585e+05 3.152814e+05 4.532463e+05 3.555605e+05 3.039244e+05 1.680876e+05 2.821248e+05 1.074419e+05 8.759450e+05 2.722544e+05 8.702726e+05 9.357720e+05 1.091243e+05 5.945796e+05 3.821418e+05 3.428496e+05 8.227021e+04 5.573442e+05 5.025934e+05 1.973751e+05 1.641019e+05 1.362824e+05 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1.454886e+05 7.391607e+04 2.672311e+05 1.902503e+05 9.562311e+04 3.242728e+05 1.924565e+05 1.483172e+05 1.531908e+05 1.117151e+05 7.748632e+04 1.542193e+05 1.956373e+05 1.303158e+05 4.647272e+05 3.438134e+05 2.740489e+05 3.742107e+05 1.191724e+06 2.630149e+06 4.233520e+05 1.276061e+05 7.422345e+05 1.098374e+05 1.720574e+05 1.180629e+05 1.485611e+05 2.726090e+05 1.727186e+05 3.423808e+05 4.067006e+05 3.654289e+05 2.017690e+05 6.400039e+06 1.086562e+05 1.634240e+06 1.357839e+06 1.428706e+05 2.202979e+05 1.757072e+05 2.554641e+05 1.739481e+05 1.142255e+05 1.382552e+05 1.209269e+05 1.418970e+05 1.229734e+05 1.380083e+05 1.490113e+05 1.520813e+05 1.184599e+05 8.628332e+04 1.503873e+05 2.181915e+05 1.365733e+05 2.559927e+05 1.848153e+05 1.627121e+05 1.223933e+05 1.346026e+05 1.127228e+05 1.189189e+05 1.744824e+05 1.105475e+05 1.545584e+05 2.319073e+05 6.931922e+05 1.441432e+05 1.340122e+05 1.279200e+05 3.271394e+05 1.735820e+05 1.154304e+05 1.566732e+05 1.701227e+05 1.585235e+05 3.061891e+05 1.358092e+05 9.997054e+04 2.108397e+05 2.564401e+05 6.236965e+05 1.312559e+05 3.614290e+05 1.294606e+05 1.303431e+05 1.251174e+05 1.311196e+05 2.306933e+05 1.262555e+05 1.264137e+05 1.035981e+05 9.335182e+04 5.660523e+05 1.800054e+05 7.932018e+04 2.436299e+05 1.158606e+06 3.266346e+06 1.343568e+05 2.331264e+05 149.52274_1.819 3.195992e+05 4.051239e+07 4.039485e+07 3.978821e+07 3.990525e+05 2.277940e+07 5.345382e+07 4.692926e+07 251900.15 4.051175e+07 2.920393e+07 3.870040e+07 231196.92 4.419710e+07 4.720473e+07 3.243023e+07 2.588766e+05 3.296418e+07 4.105308e+07 4.234669e+07 4.052750e+05 4.604135e+07 4.293533e+07 3.919520e+07 285672.317 3.465486e+07 4.489163e+07 3.898854e+07 2.619200e+05 2.688532e+07 3.971072e+07 3.894488e+07 281551.75 5.236534e+07 3.370385e+07 3.325316e+07 2.777904e+05 5.275328e+07 4.279372e+07 2.991863e+07 2.427219e+05 3.467702e+07 4.589440e+07 3.661843e+07 1.599954e+05 4.683257e+07 5.399125e+07 2.171961e+07 2.215228e+07 3.726551e+07 2.668611e+07 4.224024e+07 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3.738475e+07 3.582913e+07 8.653129e+05 2.365404e+07 4.633519e+07 3.094100e+07 3.780417e+07 5.340735e+07 4.249374e+07 4.422594e+07 3.631935e+07 2.463917e+07 4.396686e+07 3.511738e+07 3.615038e+07 5.032634e+07 3.593087e+07 3.718978e+07 2.600455e+07 4.406628e+07 2.412327e+07 2.550219e+07 4.790277e+07 4.027746e+07 3.359417e+07 4.392429e+07 5.090062e+07 3.168961e+07 4.497163e+07 4.105998e+07 2.842930e+07 3.374637e+07 2.718441e+07 2.870784e+07 4.332737e+07 1.715429e+07 3.333962e+07 2.263847e+07 3.952628e+07 3.566062e+07 3.486343e+07 3.662440e+07 3.864026e+07 3.486211e+07 3.773981e+07 4.964628e+07 3.756458e+07 3.737343e+07 3.403588e+07 2.790459e+07 4.247475e+07 4.176128e+07 6.113196e+07 1.827857e+07 4.050459e+07 4.792368e+07 2.947483e+07 4.154076e+07 5.082749e+07 3.850042e+07 2.801938e+07 4.659966e+07 4.584453e+07 4.028193e+07 3.334960e+07 3.520685e+07 4.629861e+07 4.535829e+07 4.318067e+07 3.954089e+07 3.616116e+07 3.407708e+07 3.840257e+07 2.806389e+07 3.069100e+07 4.835147e+07 5.014475e+07 4.195460e+07 3.840376e+07 2.724643e+07 3.532332e+07 3.199037e+07 5.736994e+07 5.054387e+07 3.426550e+07 7.986451e+07 3.578198e+07 2.418351e+07 3.725471e+07 4.992983e+07 4.536575e+07 4.747348e+07 2.891619e+07 5.199808e+07 3.774985e+07 4.178115e+07 3.603235e+07 3.687828e+07 4.031361e+07 4.057826e+07 5.648081e+07 5.674699e+07 3.520689e+07 3.357504e+07 4.277500e+07 6.575064e+07 2.509214e+07 3.527563e+07 2.030113e+07 4.843181e+07 4.735482e+07 3.903947e+07 4.087228e+07 4.494451e+07 4.565041e+07 4.761797e+07 3.977419e+07 4.541786e+07 2.769775e+07 4.300010e+07 3.446941e+07 3.263239e+07 2.460377e+07 2.813004e+07 3.411944e+07 4.743627e+07 2.827573e+07 2.903085e+07 2.645236e+07 2.736430e+07 3.980067e+07 3.710976e+07 4.810483e+07 C7 H16 N2 O7 P2_1.819 4.922974e+04 1.423754e+06 2.109346e+06 1.713496e+06 7.461966e+04 1.073999e+06 2.651750e+06 2.025699e+06 50387.43 1.732090e+06 1.855188e+06 1.351937e+06 63232.79 1.898143e+06 1.726292e+06 1.990056e+06 6.904955e+04 1.532005e+06 1.781448e+06 1.854967e+06 1.242791e+05 1.892299e+06 1.661758e+06 2.048759e+06 85761.064 1.984799e+06 1.578391e+06 1.542883e+06 8.839485e+04 1.847085e+06 1.490798e+06 2.290434e+06 117915.87 1.772772e+06 1.780467e+06 1.800314e+06 1.251990e+05 1.933328e+06 1.542601e+06 1.463658e+06 9.324306e+04 1.835374e+06 1.463616e+06 3.063877e+06 4.518733e+04 1.431486e+06 1.775671e+06 1.500198e+06 1.360549e+06 1.520687e+06 1.273761e+06 1.760631e+06 1.429068e+06 1.863260e+06 1.565576e+06 9.845348e+05 1.770744e+06 1.667825e+06 1.579745e+06 1.727882e+06 1.832912e+06 1.393334e+06 1.683823e+06 1.562401e+06 1.614373e+06 1.086074e+06 1.430822e+06 1.928076e+06 1.380556e+06 1.842833e+06 2.080237e+06 2.451101e+06 1.874283e+06 1.755791e+06 1.717089e+06 1.485983e+06 1.432280e+06 1.563142e+06 1.210188e+05 1.759225e+06 1.619986e+06 1.615641e+06 1.592356e+06 1.851830e+06 1.326322e+06 1.586327e+06 1.299867e+06 2.003595e+06 1.574872e+06 1.644912e+06 1.870450e+06 1.783076e+06 1.626845e+06 1.581117e+06 1.664415e+06 1.258417e+06 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1.610186e+06 1.711517e+06 1.936716e+06 1.498314e+06 2.198475e+06 1.592208e+06 1.884512e+06 1.511909e+06 1.935338e+06 1.989110e+06 1.015858e+06 1.452500e+06 1.750732e+06 1.575567e+06 1.973477e+06 1.257017e+06 1.477576e+06 1.956665e+06 2.026728e+06 1.951657e+06 1.923819e+06 1.403195e+06 1.621197e+06 1.616540e+06 1.872927e+06 1.737913e+06 1.384983e+06 1.445108e+06 1.749863e+06 1.581249e+06 1.886409e+06 2.382916e+06 1.995244e+06 1.922715e+06 1.783038e+06 1.632508e+06 2.021490e+06 1.930252e+06 1.957301e+06 1.561775e+06 2.281213e+06 2.451062e+06 1.648383e+06 1.053614e+06 1.498800e+06 2.135014e+06 1.470516e+06 2.202738e+06 1.995242e+06 2.084694e+06 1.484953e+06 1.829462e+06 1.782347e+06 1.931595e+06 1.801810e+06 1.754970e+06 1.733008e+06 2.308338e+06 1.760415e+06 2.101476e+06 2.671989e+06 2.264659e+06 1.476932e+06 1.527922e+06 2.461249e+06 2.173711e+06 2.159267e+06 1.394525e+06 2.071017e+06 1.525189e+06 2.013574e+06 1.682037e+06 1.705783e+06 3.066352e+06 1.716507e+06 2.024885e+06 1.644214e+06 1.891323e+06 1.835355e+06 2.525206e+06 1.704942e+06 1.646301e+06 1.218782e+06 1.495625e+06 1.934486e+06 1.693894e+06 2.055358e+06 2.054763e+06 1.936370e+06 9-Aminononanoic acid_1.82 3.021193e+06 4.141517e+06 3.961646e+06 3.259201e+06 8.222070e+04 2.163688e+06 3.272508e+06 4.288477e+06 80977.04 3.387424e+06 3.517684e+06 3.789404e+06 89848.91 3.330712e+06 3.423035e+06 3.530938e+06 3.367298e+05 3.260515e+06 3.487359e+06 3.455429e+06 1.924284e+05 3.137458e+06 4.162796e+06 3.995455e+06 134199.615 2.604944e+06 3.552473e+06 3.752725e+06 1.353784e+05 3.403384e+06 3.134896e+06 4.132743e+06 180788.21 2.876753e+06 4.273485e+06 3.208215e+06 2.108994e+05 2.924749e+06 4.273899e+06 2.688958e+06 1.638941e+05 2.872550e+06 3.792246e+06 4.764146e+06 8.189379e+04 3.115058e+06 3.784951e+06 2.850432e+06 1.531631e+06 4.680438e+05 2.630608e+05 5.409289e+05 2.807969e+05 5.160645e+05 1.149632e+06 1.004580e+06 3.169560e+05 3.946722e+05 3.403524e+05 1.582887e+06 4.828795e+06 2.182948e+06 3.973474e+05 3.926651e+06 1.419017e+06 4.548876e+05 2.050545e+05 3.541470e+06 2.739725e+05 2.808315e+05 3.751850e+05 4.101332e+05 5.924980e+05 3.058566e+05 3.641822e+05 2.443247e+05 6.890498e+05 8.303186e+05 4.472706e+05 5.766000e+05 6.861818e+05 3.439067e+05 1.800216e+06 4.208399e+05 2.440695e+05 1.660672e+06 1.369032e+06 1.767534e+05 4.126941e+05 3.841834e+05 2.660666e+05 3.962199e+05 3.570101e+05 2.442297e+07 3.872913e+06 3.520513e+05 5.301312e+05 3.941845e+06 1.235012e+07 1.077507e+07 1.052252e+06 1.627262e+06 7.763529e+06 1.428709e+06 4.723821e+05 4.856245e+05 4.968484e+05 8.424108e+06 1.653358e+06 2.311855e+05 2.518398e+05 6.092470e+05 3.652676e+05 7.604316e+07 5.372482e+06 2.825801e+05 2.338114e+05 6.227626e+05 2.385197e+05 6.569457e+05 2.503333e+05 2.555719e+05 3.800787e+05 3.792976e+05 3.205661e+05 4.289475e+05 5.168242e+05 3.984931e+05 1.593083e+07 1.566411e+05 1.367939e+06 7.084535e+05 6.442371e+06 4.376241e+05 4.484313e+05 3.710533e+05 3.672206e+05 1.338505e+06 1.608219e+07 5.498271e+05 4.364912e+07 1.379369e+07 6.121713e+05 1.925672e+05 1.829916e+05 4.988713e+05 4.534347e+05 4.990630e+05 4.995919e+05 5.039848e+05 4.166872e+05 1.049853e+06 8.040178e+05 1.849976e+07 1.908926e+05 2.101744e+07 5.684174e+05 2.168776e+05 6.198677e+05 2.061027e+05 4.942908e+05 3.721906e+05 9.524629e+05 4.404178e+06 5.944711e+05 1.477236e+07 6.760812e+06 1.187600e+06 4.865269e+06 6.322239e+06 4.155373e+05 5.654737e+05 3.896247e+06 7.229374e+06 1.536956e+06 1.954380e+05 3.975186e+05 5.409233e+05 7.636592e+06 3.244363e+05 7.096288e+05 2.000992e+06 2.623708e+05 4.751711e+06 3.835891e+05 4.196717e+06 4.749725e+05 9.452407e+05 1.779486e+06 1.465489e+07 7.233306e+05 5.729683e+05 1.263498e+07 1.723929e+07 2.381087e+06 3.271546e+06 6.675910e+05 4.119063e+05 6.313459e+05 8.076854e+05 1.218866e+06 1.098330e+07 1.506398e+06 3.657906e+05 3.236624e+05 3.606768e+06 4.237963e+05 2.509920e+05 1.185574e+06 4.587317e+05 2.343012e+06 2.075306e+07 3.864810e+06 4.484520e+05 6.273646e+06 3.277023e+06 1.035935e+06 2.098270e+07 4.714114e+05 3.273665e+05 5.139062e+05 3.332267e+05 3.097823e+05 3.443900e+05 6.009638e+06 7.862308e+05 5.064831e+05 7.092342e+05 2.570498e+06 2.815634e+05 9.093085e+06 4.873807e+05 6.686894e+07 2.945019e+05 3.757020e+05 7.171488e+06 3.330835e+06 1.892090e+07 3.202208e+05 3.593102e+06 1.050227e+07 7.929257e+05 2.561030e+07 2.299737e+07 2.558187e+05 4.878709e+06 6.300402e+05 4.953904e+05 2.155167e+07 3.263405e+06 5.899664e+05 7.413225e+05 4.639376e+06 4.183785e+05 8.300210e+05 1.036981e+08 2.738000e+05 3.507919e+05 2.034032e+06 1.067180e+07 2.864428e+07 5.129221e+05 C12 H18 O6_1.821 3.615531e+04 2.338575e+06 2.393968e+06 2.419820e+06 5.747390e+04 1.175593e+06 1.943148e+06 2.813193e+06 42503.50 1.979329e+06 2.280958e+06 2.252937e+06 50995.93 2.205822e+06 1.466340e+06 2.272275e+06 5.706636e+04 2.567516e+06 1.926158e+06 2.159760e+06 1.061511e+05 1.709884e+06 2.341198e+06 2.826772e+06 68526.102 1.948691e+06 2.054300e+06 1.793072e+06 6.863804e+04 2.172816e+06 2.149615e+06 2.514092e+06 89962.80 1.820344e+06 2.527421e+06 1.722717e+06 1.006950e+05 2.049499e+06 2.605572e+06 2.101019e+06 8.007783e+04 1.865218e+06 1.707827e+06 2.727121e+06 4.136813e+04 2.093369e+06 2.734487e+06 1.545642e+06 1.380336e+06 2.157389e+06 1.079259e+06 2.373921e+06 1.087861e+06 1.377213e+06 1.709447e+06 1.474620e+06 2.062033e+06 1.811573e+06 1.556776e+06 2.621507e+06 1.826758e+06 1.396575e+06 2.221941e+06 2.421952e+06 2.279535e+06 1.206557e+06 4.292032e+06 1.252041e+06 1.694648e+06 2.211795e+06 2.356523e+06 2.157033e+06 1.682561e+06 2.919848e+06 1.728276e+06 1.743796e+06 2.272207e+06 2.402141e+06 8.400353e+04 2.464657e+06 2.240897e+06 2.398430e+06 1.396334e+06 2.776655e+06 1.358995e+06 1.458369e+06 9.250122e+05 9.410807e+05 1.742552e+06 1.903508e+06 4.594726e+06 1.948545e+06 5.759190e+06 2.387352e+06 4.723092e+06 3.693222e+06 4.493801e+06 1.046483e+06 3.127640e+06 2.388779e+06 1.942882e+06 3.910547e+06 6.953229e+05 3.136832e+06 3.650025e+06 3.075841e+06 2.464814e+06 2.406492e+06 9.765538e+05 1.155914e+06 1.459717e+06 5.362942e+06 3.025979e+06 1.646173e+06 2.064504e+06 1.095664e+06 2.081806e+06 1.452080e+06 1.181784e+06 1.919478e+06 6.788462e+05 1.038724e+06 6.868768e+05 1.251394e+06 1.217679e+06 1.188220e+06 2.391181e+06 1.007503e+06 1.004170e+06 1.662651e+06 2.061095e+06 1.004987e+05 1.431822e+06 1.489027e+06 1.880049e+06 1.706285e+06 2.462006e+06 2.470641e+06 1.600884e+06 2.124567e+06 1.037212e+06 2.127699e+06 2.164446e+06 1.124069e+06 1.766286e+06 1.406854e+06 1.520250e+06 2.028523e+06 1.192429e+06 2.814703e+06 2.095821e+06 1.964556e+06 1.984849e+06 2.927121e+06 2.216853e+06 2.306262e+06 3.585363e+06 4.498906e+06 3.805500e+06 2.241026e+06 1.582552e+06 3.325754e+06 1.590387e+06 1.271833e+06 2.187184e+06 1.180017e+06 1.299332e+06 1.609871e+06 1.336173e+06 1.238796e+06 1.596721e+06 1.751837e+06 1.517783e+06 1.376507e+06 2.606114e+06 1.754400e+06 1.874746e+06 1.326513e+06 2.294074e+06 2.221898e+06 9.362669e+06 8.752679e+05 1.630391e+06 7.093413e+06 1.056102e+06 1.375353e+06 1.427707e+06 1.381727e+06 7.982339e+06 1.127963e+06 8.256166e+06 1.876239e+06 1.641893e+06 1.772114e+06 7.343393e+06 1.416278e+06 6.065201e+06 8.437438e+06 1.149456e+06 7.413358e+06 8.482860e+06 9.304747e+06 1.295915e+06 1.148595e+06 1.509496e+06 1.904442e+06 1.894486e+06 1.229335e+06 2.643332e+06 1.520367e+06 1.154911e+06 1.591417e+06 1.453547e+06 1.769619e+06 1.471348e+06 2.603175e+06 7.238386e+06 1.955726e+06 3.764145e+06 1.270084e+06 2.837250e+06 1.183511e+06 1.514735e+06 2.182737e+06 2.487593e+06 3.296126e+06 3.637714e+06 1.534289e+06 3.100307e+06 1.693026e+06 2.744196e+06 1.871803e+06 1.842057e+06 2.156111e+06 2.473198e+06 1.656919e+06 2.736989e+06 1.338332e+06 2.720716e+06 1.301308e+06 2.192543e+06 1.415250e+06 1.510996e+06 1.409650e+06 1.124539e+06 1.633768e+06 2.352270e+06 1.259861e+06 1.533887e+06 2.345028e+06 2.048360e+06 3.173649e+06 1.396658e+06 1.710267e+06 3.659353e+06 1.158098e+06 1.188431e+06 2.511877e+06 6.055988e+05 8.354448e+05 1.974428e+06 1.974858e+06 2-(1-Pyrrolidinyl)-3-pentanone_1.821 1.869753e+06 2.843663e+06 2.739729e+06 1.940930e+06 6.136696e+04 1.230745e+06 1.988478e+06 2.883477e+06 45212.79 2.219236e+06 2.259353e+06 2.473367e+06 48603.93 2.003376e+06 2.132995e+06 2.391820e+06 5.862212e+04 2.127147e+06 2.270551e+06 2.297664e+06 9.989134e+04 2.085823e+06 2.701937e+06 2.392357e+06 72909.226 1.575053e+06 2.316418e+06 2.558028e+06 7.433145e+04 2.254802e+06 1.865850e+06 2.682167e+06 96762.03 1.842057e+06 2.992617e+06 1.959827e+06 1.127821e+05 1.709390e+06 2.853412e+06 1.674133e+06 8.461604e+04 1.829272e+06 2.387338e+06 3.143751e+06 4.203775e+04 2.227733e+06 2.407506e+06 1.671781e+06 9.413150e+05 3.946591e+05 1.480644e+05 2.976762e+05 1.497909e+05 3.981400e+05 7.134969e+05 8.871378e+05 2.139273e+05 2.698677e+05 1.954144e+05 8.841063e+05 3.197946e+06 1.273111e+06 2.913672e+05 2.467233e+06 9.517712e+05 3.311135e+05 1.057272e+05 2.222006e+06 1.656414e+05 1.627995e+05 2.404551e+05 2.543020e+05 3.614068e+05 1.618214e+05 2.703136e+05 1.358205e+05 4.040813e+05 5.171396e+05 3.786931e+05 4.379292e+05 4.345382e+05 1.513190e+05 1.092275e+06 3.359115e+05 1.379545e+05 1.046458e+06 8.517613e+05 1.102463e+05 3.221684e+05 2.382058e+05 1.430483e+05 3.052311e+05 2.385325e+05 1.585300e+07 2.399640e+06 2.511673e+05 3.921489e+05 2.488343e+06 7.991026e+06 6.647848e+06 6.623305e+05 1.101524e+06 5.026018e+06 8.676435e+05 3.311020e+05 3.616359e+05 3.777402e+05 6.008140e+06 1.041566e+06 1.183053e+05 1.515049e+05 4.892495e+05 2.373874e+05 4.648052e+07 3.717223e+06 1.933192e+05 1.246824e+05 4.864801e+05 1.280917e+05 4.223915e+05 1.283305e+05 1.306469e+05 2.818051e+05 2.489646e+05 2.051607e+05 2.978006e+05 4.232736e+05 2.706196e+05 1.052431e+07 8.502096e+04 8.516897e+05 2.181915e+05 4.215276e+06 3.431643e+05 3.892002e+05 1.776654e+05 1.413033e+05 7.982989e+05 1.057272e+07 4.689593e+05 2.775294e+07 8.173096e+06 5.093557e+05 1.034949e+05 9.993299e+04 3.988976e+05 3.207480e+05 3.954429e+05 4.025466e+05 2.506637e+05 3.257814e+05 9.438696e+05 7.058944e+05 1.212682e+07 9.986241e+04 1.384640e+07 4.362453e+05 1.184650e+05 4.928860e+05 1.083589e+05 3.802994e+05 2.497529e+05 5.241505e+05 2.963992e+06 4.376708e+05 9.610693e+06 4.444622e+06 7.391833e+05 3.123065e+06 4.352363e+06 3.257120e+05 4.790484e+05 2.307248e+06 4.979905e+06 9.798958e+05 1.064199e+05 2.900549e+05 3.999531e+05 4.506915e+06 2.049636e+05 4.944885e+05 1.297603e+06 1.492987e+05 3.218291e+06 2.604245e+05 2.549814e+06 3.756795e+05 6.419496e+05 1.688525e+06 9.648642e+06 5.605987e+05 3.876906e+05 8.179370e+06 1.198639e+07 1.486862e+06 2.180949e+06 4.637485e+05 2.312965e+05 3.653481e+05 6.473586e+05 1.094523e+06 6.674075e+06 1.037779e+06 2.679815e+05 1.947174e+05 2.324967e+06 2.785213e+05 1.367008e+05 7.550081e+05 3.235058e+05 1.499121e+06 1.345238e+07 2.637598e+06 3.182364e+05 4.350703e+06 2.044216e+06 7.933057e+05 1.422903e+07 3.047213e+05 1.867940e+05 4.018887e+05 2.372929e+05 1.895738e+05 1.876070e+05 3.839668e+06 6.665655e+05 2.604478e+05 4.537243e+05 1.493540e+06 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6.363623e+05 6.626696e+05 3.578622e+05 5.514987e+05 9.014285e+05 6.260347e+05 1.994015e+06 7.667441e+05 8.583440e+05 8.689147e+05 9.191101e+05 5.846236e+05 4.879619e+05 9.022270e+05 1.017974e+06 9.496869e+05 8.169694e+05 1.043453e+06 7.093535e+05 6.586863e+05 7.219330e+05 9.401854e+05 5.124533e+05 8.974403e+05 8.217594e+05 3.764689e+05 4.484024e+05 2.426138e+05 6.274386e+05 6.905915e+05 9.127324e+05 1.397542e+06 1.351226e+06 1.354808e+06 8.601410e+05 1.387175e+06 1.322657e+06 9.130231e+05 1.108510e+06 1.662026e+06 1.264537e+06 2.947867e+05 1.170745e+06 6.977260e+05 2.921540e+06 3.093684e+05 3.187770e+05 3.532444e+05 5.075908e+05 1.692498e+06 1.063473e+06 1.627642e+06 C8 H13 N O_1.825 3.530101e+05 3.084772e+05 3.104259e+05 3.077970e+05 5.237924e+04 1.177850e+05 3.016725e+05 3.181573e+05 41259.59 2.797980e+05 3.424631e+05 4.395549e+05 51999.47 2.292269e+05 2.800160e+05 2.670051e+05 5.521412e+04 3.215172e+05 3.462394e+05 3.002050e+05 1.081723e+05 2.932346e+05 2.626424e+05 4.199195e+05 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1.129827e+05 1.329114e+05 2.385666e+06 6.361610e+06 1.190840e+05 1.551226e+05 1.404346e+05 1.616654e+05 1.194845e+05 4.258758e+05 1.691217e+05 1.768262e+05 2.001420e+05 1.274409e+05 1.635957e+05 1.851183e+05 2.527361e+05 4.993734e+05 1.834670e+05 1.985715e+05 2.429889e+05 2.288653e+05 1.794632e+05 1.945162e+05 1.519925e+05 1.168803e+05 1.345838e+05 1.101392e+05 2.162495e+05 1.046123e+05 1.663159e+05 1.430340e+05 1.497019e+05 1.535631e+05 1.151757e+05 1.760673e+06 1.512884e+05 1.879449e+05 2.478276e+05 1.719089e+05 4.103367e+05 2.121416e+05 1.396954e+05 1.155465e+05 6.023283e+05 1.666775e+05 1.362670e+05 1.587002e+05 2.085109e+05 3.045175e+05 1.503623e+05 2.471731e+05 1.489044e+05 1.980404e+05 1.778476e+05 1.949182e+05 1.795479e+05 1.573670e+05 1.331580e+05 2.085481e+05 1.372754e+05 9.571700e+04 2.210325e+05 1.160177e+05 1.512061e+05 5.682654e+06 1.059726e+05 1.137911e+05 1.483420e+05 1.590868e+05 3.430485e+05 2.931145e+05 1.347434e+05 1.459408e+05 1.045820e+05 9.611775e+04 2.029089e+05 8.324615e+04 1.105079e+05 1.429702e+05 1.098360e+05 1.919232e+05 1.662240e+05 1.443785e+05 Asparenomycin A_1.825 1.421046e+05 9.460148e+06 1.374686e+07 9.479417e+06 1.731124e+05 9.454485e+06 2.090084e+07 1.650405e+07 98515.03 9.716721e+06 1.105411e+07 1.615812e+07 99292.00 1.219245e+07 1.315272e+07 1.197184e+07 1.119427e+05 9.485763e+06 1.206612e+07 1.270802e+07 2.126898e+05 1.586480e+07 1.853754e+07 1.119029e+07 163491.581 8.466792e+06 1.328336e+07 1.446074e+07 1.586744e+05 1.010113e+07 1.063711e+07 1.185105e+07 147265.96 2.005452e+07 9.269015e+06 1.320047e+07 1.343091e+05 1.414971e+07 1.027912e+07 1.728285e+07 1.067542e+05 1.391273e+07 8.865701e+06 1.198532e+07 7.041052e+04 1.498603e+07 1.480312e+07 1.099540e+07 8.745431e+06 1.084293e+07 9.970535e+06 1.160276e+07 1.133246e+07 1.062297e+07 1.235307e+07 7.038570e+06 1.116789e+07 1.125777e+07 9.178222e+06 1.130493e+07 1.054759e+07 1.114391e+07 1.378886e+07 1.230338e+07 8.764455e+06 8.131007e+06 1.308352e+07 1.083126e+07 1.455896e+07 1.439614e+07 1.446767e+07 1.062137e+07 1.403134e+07 1.201581e+07 1.331655e+07 1.278047e+07 1.416552e+07 1.328083e+07 5.464953e+05 7.048792e+06 8.927923e+06 1.163057e+07 9.803057e+06 9.771946e+06 1.072070e+07 1.076104e+07 1.017735e+07 1.211538e+07 1.223199e+07 1.548139e+07 1.033001e+07 9.475798e+06 1.172527e+07 1.088622e+07 9.643621e+06 1.002868e+07 1.486578e+07 8.889925e+06 1.298739e+07 9.673998e+06 1.879272e+07 1.114541e+07 1.485416e+07 1.037115e+07 1.193419e+07 1.215126e+07 9.873691e+06 1.127667e+07 1.038372e+07 1.008218e+07 9.482379e+06 1.406632e+07 1.737541e+07 8.416591e+06 9.779778e+06 1.340695e+07 1.187931e+07 1.018270e+07 8.513089e+06 1.097778e+07 8.277591e+06 8.231783e+06 9.284594e+06 9.615688e+06 1.142264e+07 1.178095e+07 8.473847e+06 1.087884e+07 1.087106e+07 8.475349e+06 1.433959e+07 1.536519e+05 9.265936e+06 1.170808e+07 1.084068e+07 1.956991e+07 1.012249e+07 1.445938e+07 1.481644e+07 1.316257e+07 7.410567e+06 2.214126e+07 1.174457e+07 1.340399e+07 1.048161e+07 1.090666e+07 8.954065e+06 1.047248e+07 9.106864e+06 9.582284e+06 7.880690e+06 1.192000e+07 1.312706e+07 9.925510e+06 1.185419e+07 9.817020e+06 1.082301e+07 9.383560e+06 1.682879e+07 1.106457e+07 9.728744e+06 8.094156e+06 1.014342e+07 1.270377e+07 7.519397e+06 1.075749e+07 7.945422e+06 9.389369e+06 8.350238e+06 9.247237e+06 9.984094e+06 1.202516e+07 9.822954e+06 1.425859e+07 1.132913e+07 8.411084e+06 1.247930e+07 8.669637e+06 9.405775e+06 1.175360e+07 9.918883e+06 1.277065e+07 1.142346e+07 1.177691e+07 1.202919e+07 1.236714e+07 1.002215e+07 1.343950e+07 8.678387e+06 9.804484e+06 1.784855e+07 9.469908e+06 1.344272e+07 1.226584e+07 7.804880e+06 1.093666e+07 9.894028e+06 1.975162e+07 1.195516e+07 1.224823e+07 8.521723e+06 1.217271e+07 1.088566e+07 1.031100e+07 1.627322e+07 1.657804e+07 2.340385e+07 1.303349e+07 1.286990e+07 1.389023e+07 1.224296e+07 1.689648e+07 1.300176e+07 1.204717e+07 2.192285e+07 1.181608e+07 1.288472e+07 1.011233e+07 1.293075e+07 2.012660e+07 1.002982e+07 9.681462e+06 1.506259e+07 9.322066e+06 1.511655e+07 1.154466e+07 9.548531e+06 1.100189e+07 1.692516e+07 1.010078e+07 1.390658e+07 8.427038e+06 1.085177e+07 1.392966e+07 1.677391e+07 8.748963e+06 1.319280e+07 1.148330e+07 1.091161e+07 1.001220e+07 1.811396e+07 1.215291e+07 1.610609e+07 1.264213e+07 1.666363e+07 9.095257e+06 1.459047e+07 1.005870e+07 1.127432e+07 1.232028e+07 6.537085e+06 1.004764e+07 9.818417e+06 8.984661e+06 1.120203e+07 8.988258e+06 8.179405e+06 8.307783e+06 1.033913e+07 9.828782e+06 1.163299e+07 1.333234e+07 C8 H11 N7 O2 P2_1.826 4.106006e+05 4.738478e+07 5.463955e+07 4.796212e+07 5.319632e+05 3.621007e+07 7.386743e+07 6.065836e+07 315158.66 4.826042e+07 4.625856e+07 5.740837e+07 303884.28 5.449061e+07 5.751371e+07 4.488522e+07 3.094412e+05 4.100897e+07 5.384117e+07 5.408904e+07 5.477297e+05 6.170674e+07 6.383888e+07 4.940413e+07 406031.622 4.314686e+07 5.684510e+07 5.611122e+07 3.961854e+05 3.563906e+07 4.977079e+07 4.887700e+07 398803.90 7.377003e+07 4.444550e+07 4.633981e+07 3.841626e+05 6.568742e+07 5.227296e+07 4.775203e+07 3.280483e+05 4.882238e+07 5.380121e+07 5.004650e+07 2.140202e+05 6.230601e+07 7.170835e+07 2.766788e+07 3.274176e+07 4.802514e+07 3.779132e+07 5.333941e+07 4.289726e+07 3.901757e+07 5.640843e+07 3.410261e+07 5.484954e+07 3.757708e+07 3.342064e+07 6.120811e+07 4.717476e+07 5.071895e+07 5.436607e+07 5.118872e+07 3.289351e+07 2.536538e+07 5.360770e+07 4.541190e+07 5.895578e+07 5.217716e+07 3.829622e+07 4.132524e+07 6.841955e+07 5.709598e+07 4.990144e+07 4.795761e+07 5.281568e+07 5.678415e+07 2.015418e+06 3.337132e+07 4.815535e+07 5.148929e+07 4.456508e+07 5.169412e+07 4.133578e+07 4.806963e+07 3.424596e+07 5.859193e+07 5.502655e+07 5.197950e+07 3.881380e+07 5.253922e+07 5.332546e+07 5.086713e+07 4.697416e+07 4.471658e+07 4.466139e+07 4.028566e+07 5.007292e+07 4.266465e+07 5.413084e+07 4.337767e+07 4.993292e+07 4.465293e+07 4.766963e+07 6.644855e+07 3.702710e+07 5.326623e+07 2.867947e+07 4.005753e+07 4.141912e+07 5.799835e+07 6.717780e+07 4.100574e+07 5.191225e+07 5.671227e+07 4.878356e+07 4.954621e+07 4.057301e+07 4.652184e+07 3.069515e+07 3.750072e+07 3.335826e+07 5.197071e+07 4.561569e+07 5.887540e+07 4.408391e+07 3.948651e+07 5.103870e+07 4.411507e+07 4.799111e+07 1.030968e+06 3.410185e+07 5.822897e+07 4.194302e+07 5.551008e+07 6.757823e+07 5.759571e+07 6.226670e+07 5.011477e+07 3.212032e+07 6.426777e+07 4.979060e+07 5.104612e+07 5.989404e+07 4.602057e+07 4.428505e+07 3.627961e+07 4.688929e+07 3.258388e+07 3.242873e+07 5.840485e+07 5.250553e+07 4.163461e+07 5.857220e+07 5.681600e+07 4.183600e+07 5.264847e+07 5.797764e+07 3.897126e+07 4.190403e+07 3.731693e+07 3.903596e+07 5.729313e+07 2.479751e+07 4.319026e+07 3.270464e+07 4.815672e+07 4.392250e+07 4.382875e+07 4.415568e+07 5.075827e+07 4.538833e+07 5.254885e+07 6.508046e+07 4.612553e+07 4.950804e+07 4.474947e+07 3.809499e+07 5.362165e+07 5.132828e+07 7.432231e+07 3.315948e+07 5.172666e+07 5.750523e+07 4.141582e+07 4.891223e+07 6.795141e+07 4.679595e+07 3.686216e+07 6.373524e+07 5.267182e+07 5.395932e+07 4.555893e+07 4.210766e+07 5.891849e+07 5.472334e+07 6.222753e+07 4.803551e+07 5.056567e+07 3.983773e+07 5.136301e+07 3.737205e+07 4.544227e+07 7.307877e+07 6.533749e+07 6.507478e+07 5.022875e+07 3.722753e+07 5.596803e+07 4.388064e+07 7.084504e+07 6.414345e+07 4.977007e+07 1.086008e+08 5.010354e+07 3.775906e+07 4.724475e+07 6.343558e+07 6.631066e+07 5.379096e+07 4.039433e+07 6.576809e+07 5.013171e+07 5.528031e+07 4.772831e+07 4.583658e+07 5.064603e+07 5.988334e+07 6.219245e+07 6.999679e+07 4.495611e+07 4.448813e+07 5.804109e+07 8.096098e+07 3.349840e+07 5.769394e+07 3.089396e+07 5.667693e+07 5.862317e+07 5.915758e+07 5.310656e+07 5.962750e+07 5.533282e+07 6.338886e+07 5.089017e+07 5.805691e+07 3.491390e+07 5.496900e+07 4.661370e+07 3.712051e+07 3.430920e+07 3.643812e+07 4.118803e+07 5.860434e+07 3.785560e+07 3.614996e+07 3.332119e+07 3.978806e+07 4.865607e+07 4.845201e+07 6.146677e+07 123.07448_1.826 3.354924e+04 4.488440e+06 3.946074e+06 4.290584e+06 5.381382e+04 1.910385e+06 4.217984e+06 3.786719e+06 41813.31 4.378799e+06 3.768145e+06 4.236278e+06 49908.92 3.274762e+06 3.713665e+06 3.879007e+06 9.071573e+04 4.057086e+06 3.552092e+06 4.377943e+06 1.015149e+05 3.180168e+06 3.382100e+06 4.568046e+06 64704.023 3.738241e+06 4.046303e+06 3.643361e+06 6.252509e+04 3.651237e+06 3.904096e+06 5.012742e+06 86921.40 2.562693e+06 4.339098e+06 3.660090e+06 1.015307e+05 3.117793e+06 3.960299e+06 3.392956e+06 6.753207e+04 3.857740e+06 4.349193e+06 4.459886e+06 3.598354e+04 3.394726e+06 4.366904e+06 3.137428e+06 1.767251e+06 2.868432e+06 1.281639e+06 3.645906e+06 2.805237e+06 3.042714e+06 3.322621e+06 1.362814e+06 3.527935e+06 2.766034e+06 4.192379e+06 3.178518e+06 6.153711e+06 2.750830e+06 4.261449e+06 5.254417e+06 4.737056e+06 2.984567e+06 4.547479e+06 4.407909e+06 4.703840e+06 4.147716e+06 5.214491e+06 5.938551e+06 5.487401e+06 6.620096e+06 3.192157e+06 4.311962e+06 4.465839e+06 4.118197e+06 3.955372e+05 3.510097e+06 3.770924e+06 3.457593e+06 2.780230e+06 3.736790e+06 2.435666e+06 3.805277e+06 1.442081e+06 2.073005e+06 2.578226e+06 4.236098e+06 4.671798e+06 2.833748e+06 4.384726e+06 2.980877e+06 4.807069e+06 4.341740e+06 5.299451e+06 2.632670e+06 4.873266e+06 3.769110e+06 3.507887e+06 4.958519e+06 2.377978e+06 4.527867e+06 4.482438e+06 4.177034e+06 3.439732e+06 5.027519e+06 7.682373e+05 2.241170e+06 2.959475e+06 5.717493e+06 4.446284e+06 3.150668e+06 3.992303e+06 3.300248e+06 4.242650e+06 3.566658e+06 3.063316e+06 3.906255e+06 1.910967e+06 2.230128e+06 1.653854e+06 4.583799e+06 2.798608e+06 3.054974e+06 4.654614e+06 1.959101e+06 3.233733e+06 3.264093e+06 4.195487e+06 1.018138e+05 3.324413e+06 3.414572e+06 2.613081e+06 3.479006e+06 5.662687e+06 4.750845e+06 3.953756e+06 3.665177e+06 1.556390e+06 7.450033e+06 5.019765e+06 2.254073e+06 2.764526e+06 3.661018e+06 4.175799e+06 4.292303e+06 6.929938e+06 6.101064e+06 4.126526e+06 4.849970e+06 4.178122e+06 3.883656e+06 3.214313e+06 4.005901e+06 4.871747e+06 5.574464e+06 5.825607e+06 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6.891565e+06 4.550831e+06 5.519841e+06 3.029379e+06 3.724455e+06 4.303147e+06 4.271606e+06 5.243405e+06 2.653454e+06 2.941875e+06 3.463966e+06 3.246889e+06 3.621853e+06 6.140985e+06 4.323919e+06 3.971955e+06 3.389370e+06 3.063313e+06 8.403960e+06 1.611975e+06 2.158223e+06 1.580667e+06 4.070278e+06 5.613850e+06 4.133668e+06 4.715758e+06 C5 H7 N4 O P_1.826 1.430779e+05 1.027312e+07 1.038237e+07 1.008162e+07 1.806364e+05 1.106994e+07 1.368042e+07 1.358535e+07 91267.84 1.093195e+07 1.045978e+07 1.069272e+07 87233.82 1.174556e+07 1.507813e+07 1.086221e+07 9.371125e+04 1.019080e+07 9.581148e+06 9.562399e+06 1.917896e+05 1.599473e+07 1.206891e+07 1.137777e+07 145993.545 8.850310e+06 1.243459e+07 1.310937e+07 1.277263e+05 9.130878e+06 9.549929e+06 1.334695e+07 119008.40 1.374957e+07 1.018515e+07 9.398959e+06 1.081746e+05 1.275557e+07 1.216965e+07 1.000399e+07 8.550136e+04 1.459067e+07 7.470288e+06 1.134956e+07 5.850709e+04 1.760092e+07 1.380105e+07 3.152901e+06 4.304053e+06 7.955260e+06 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9.023718e+05 1.126768e+06 1.253176e+05 2.963813e+06 1.091987e+06 1.150226e+06 8.622329e+05 1.565454e+06 1.306934e+06 7.312214e+05 2.134977e+05 2.292808e+05 4.115282e+06 4.175011e+05 7.010845e+05 1.346107e+05 1.225528e+05 1.865248e+05 2.315712e+06 1.647610e+05 C9 H17 N8 P_1.83 3.668623e+04 4.488440e+06 3.946074e+06 4.290584e+06 5.884562e+04 1.910385e+06 4.217984e+06 3.786719e+06 47944.26 4.378799e+06 3.768145e+06 4.236278e+06 54575.60 3.274762e+06 3.713665e+06 3.879007e+06 9.071573e+04 4.057086e+06 3.552092e+06 4.377943e+06 1.141609e+05 3.180168e+06 3.382100e+06 4.568046e+06 78163.107 3.738241e+06 4.046303e+06 3.643361e+06 6.837506e+04 3.651237e+06 3.904096e+06 5.012742e+06 95048.90 2.562693e+06 4.339098e+06 3.660090e+06 1.110242e+05 3.117793e+06 3.960299e+06 3.392956e+06 7.384659e+04 3.857740e+06 4.349193e+06 4.459886e+06 3.693119e+04 3.394726e+06 4.366904e+06 3.137428e+06 1.767251e+06 2.868432e+06 1.281639e+06 3.645906e+06 2.805237e+06 3.042714e+06 3.322621e+06 1.362814e+06 3.527935e+06 2.766034e+06 4.192379e+06 3.178518e+06 6.153711e+06 2.750830e+06 4.261449e+06 5.254417e+06 4.737056e+06 2.984567e+06 4.547479e+06 4.407909e+06 4.703840e+06 4.147716e+06 5.214491e+06 5.938551e+06 5.487401e+06 6.620096e+06 3.192157e+06 4.311962e+06 4.465839e+06 4.118197e+06 4.501259e+05 3.510097e+06 3.770924e+06 3.457593e+06 2.780230e+06 3.736790e+06 2.435666e+06 3.805277e+06 1.442081e+06 2.073005e+06 2.578226e+06 4.236098e+06 4.671798e+06 2.833748e+06 4.384726e+06 2.980877e+06 4.807069e+06 4.341740e+06 5.299451e+06 2.632670e+06 4.873266e+06 3.769110e+06 3.507887e+06 4.958519e+06 2.377978e+06 4.527867e+06 4.482438e+06 4.177034e+06 3.439732e+06 5.027519e+06 7.682373e+05 2.241170e+06 2.959475e+06 5.717493e+06 4.446284e+06 3.150668e+06 3.992303e+06 3.300248e+06 4.242650e+06 3.566658e+06 3.063316e+06 3.906255e+06 1.910967e+06 2.230128e+06 1.653854e+06 4.583799e+06 2.798608e+06 3.054974e+06 4.654614e+06 1.959101e+06 3.233733e+06 3.264093e+06 4.195487e+06 1.179233e+05 3.324413e+06 3.414572e+06 2.613081e+06 3.479006e+06 5.662687e+06 4.750845e+06 3.953756e+06 3.665177e+06 1.556390e+06 7.450033e+06 5.019765e+06 2.254073e+06 2.764526e+06 3.661018e+06 4.175799e+06 4.292303e+06 6.929938e+06 6.101064e+06 4.126526e+06 4.849970e+06 4.178122e+06 3.883656e+06 3.214313e+06 4.005901e+06 4.871747e+06 5.574464e+06 5.825607e+06 3.546866e+06 3.539881e+06 4.126172e+06 2.281428e+06 2.442625e+06 3.359818e+06 2.674279e+06 2.101549e+06 2.209063e+06 2.354463e+06 2.762981e+06 3.605805e+06 2.653355e+06 2.386343e+06 2.672905e+06 4.207571e+06 3.923345e+06 4.857295e+06 5.068655e+06 4.032929e+06 5.470566e+06 6.372791e+06 4.296790e+06 5.606141e+06 3.778881e+06 6.233760e+06 4.736666e+06 5.088837e+06 3.561012e+06 5.722969e+06 3.469330e+06 4.870257e+06 6.885395e+06 4.558126e+06 2.108641e+06 5.568895e+06 3.984968e+06 2.867909e+06 3.818499e+06 4.805762e+06 4.342903e+06 5.173189e+06 5.546371e+06 2.464521e+06 4.922994e+06 4.879464e+06 4.500995e+06 4.412480e+06 3.122024e+06 6.545405e+06 5.234833e+06 4.056279e+06 5.299724e+06 3.679866e+06 5.803436e+06 6.464146e+06 6.089062e+06 5.247754e+06 5.261092e+06 7.591797e+06 5.612196e+06 5.811895e+06 4.627025e+06 3.325345e+06 5.558033e+06 6.311716e+06 6.839569e+06 4.966430e+06 4.317946e+06 6.585923e+06 5.495697e+06 6.148266e+06 5.666212e+06 5.365603e+06 4.567656e+06 6.044978e+06 4.881893e+06 6.891565e+06 4.550831e+06 5.519841e+06 3.029379e+06 3.724455e+06 4.303147e+06 4.271606e+06 5.243405e+06 2.653454e+06 2.941875e+06 3.463966e+06 3.246889e+06 3.621853e+06 6.140985e+06 4.323919e+06 3.971955e+06 3.389370e+06 3.063313e+06 8.403960e+06 1.611975e+06 2.158223e+06 1.580667e+06 4.070278e+06 5.613850e+06 4.133668e+06 4.715758e+06 C18 H6 N6 O_1.831 1.112561e+05 1.993266e+06 1.987904e+06 2.040409e+06 1.499548e+05 1.575668e+06 2.634679e+06 2.190030e+06 90365.21 2.212235e+06 1.672989e+06 1.640579e+06 88020.04 2.437380e+06 2.602942e+06 2.054170e+06 8.771363e+04 1.648486e+06 1.871576e+06 1.747001e+06 1.590936e+05 2.537339e+06 2.595227e+06 1.904794e+06 115723.694 1.539629e+06 2.254677e+06 2.431238e+06 1.099842e+05 1.746373e+06 1.884737e+06 1.866704e+06 121696.43 2.211230e+06 2.216088e+06 2.211870e+06 1.162166e+05 2.156490e+06 1.798204e+06 2.014273e+06 9.845309e+04 2.346925e+06 1.578116e+06 2.357791e+06 5.740726e+04 2.158006e+06 2.221253e+06 1.831019e+06 1.740270e+06 1.819009e+06 1.816605e+06 1.838501e+06 1.556913e+06 1.829593e+06 2.061124e+06 1.346196e+06 1.777651e+06 1.955470e+06 1.558554e+06 2.641600e+06 1.730519e+06 1.845916e+06 2.230932e+06 1.975873e+06 2.070630e+06 1.256435e+06 1.747076e+06 2.172388e+06 1.981227e+06 1.922037e+06 2.075873e+06 1.792741e+06 2.243347e+06 2.376065e+06 2.159950e+06 1.762363e+06 1.671155e+06 2.619281e+06 2.274903e+06 2.004405e+06 2.128537e+06 1.656513e+06 1.951507e+06 1.823706e+06 1.711550e+06 1.939247e+06 1.682313e+06 1.694957e+06 2.667949e+06 2.471295e+06 1.742638e+06 1.540134e+06 2.631797e+06 1.844372e+06 1.760048e+06 1.982841e+06 1.721556e+06 2.190020e+06 1.979694e+06 1.394209e+06 2.003139e+06 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1.754455e+06 1.770505e+06 1.959444e+06 2.412835e+06 2.014972e+06 1.923521e+06 1.944279e+06 2.357131e+06 2.381927e+06 2.066008e+06 2.374308e+06 1.727476e+06 1.907964e+06 2.600992e+06 2.042351e+06 2.245205e+06 1.657200e+06 2.401828e+06 1.268454e+06 2.149360e+06 1.666871e+06 1.879796e+06 1.219582e+06 1.723536e+06 1.940508e+06 2.528980e+06 2.559276e+06 2.449081e+06 2.836076e+06 2.739551e+06 2.198109e+06 1.977204e+06 2.589518e+06 2.676012e+06 2.117941e+06 2.306245e+06 2.569334e+06 1.905157e+06 1.550085e+06 1.693354e+06 2.208845e+06 2.194871e+06 2.215119e+06 1.907782e+06 2.238354e+06 2.214140e+06 2.313936e+06 2.044942e+06 1.916393e+06 1.896410e+06 2.388438e+06 3.287138e+06 2.700633e+06 1.814318e+06 1.767488e+06 1.995340e+06 2.808047e+06 1.960760e+06 3.350000e+06 1.784842e+06 2.148073e+06 2.547383e+06 3.360701e+06 1.818545e+06 2.320893e+06 2.477971e+06 2.671192e+06 1.850269e+06 1.930433e+06 1.573978e+06 1.818095e+06 2.175609e+06 1.711501e+06 1.894133e+06 2.088810e+06 1.993059e+06 2.728385e+06 1.547853e+06 1.927955e+06 1.460993e+06 1.830518e+06 1.861887e+06 1.826496e+06 1.830397e+06 C9 H24 N9 O2 P_1.832 4.246215e+04 1.452658e+06 1.375692e+06 1.341332e+06 4.780783e+04 6.836450e+05 1.229429e+06 1.251968e+06 42967.27 1.367516e+06 1.360001e+06 1.362029e+06 51146.35 1.096021e+06 1.099103e+06 1.183578e+06 5.670993e+04 1.377413e+06 1.152501e+06 1.482363e+06 1.049841e+05 9.816839e+05 1.270005e+06 1.355219e+06 71027.085 1.193237e+06 1.209457e+06 9.785025e+05 6.066962e+04 1.742434e+06 1.100805e+06 1.445372e+06 87025.41 8.668717e+05 1.344998e+06 1.261570e+06 1.036077e+05 1.187580e+06 1.364948e+06 1.177893e+06 7.786473e+04 1.172838e+06 1.168332e+06 1.403292e+06 3.917847e+04 1.187637e+06 1.338541e+06 1.167997e+06 5.933734e+05 9.102360e+05 7.178751e+05 1.266018e+06 8.258289e+05 1.046256e+06 1.101616e+06 3.630966e+05 1.236716e+06 1.092859e+06 1.420476e+06 1.054425e+06 1.638373e+06 1.227285e+06 1.277740e+06 1.644538e+06 1.236789e+06 6.980397e+05 1.467080e+06 1.319596e+06 1.493447e+06 1.340308e+06 1.910697e+06 2.008806e+06 1.727170e+06 1.898019e+06 9.804242e+05 1.380630e+06 1.503780e+06 1.573167e+06 1.023827e+05 1.380025e+06 1.308770e+06 1.082860e+06 8.659923e+05 1.143839e+06 9.077874e+05 1.129148e+06 7.689162e+05 6.689525e+05 9.313663e+05 1.243823e+06 1.390313e+06 1.377985e+06 1.341484e+06 1.128890e+06 1.619920e+06 1.243087e+06 1.653669e+06 1.088235e+06 1.499386e+06 1.167230e+06 1.135221e+06 1.462616e+06 9.908044e+05 1.536734e+06 1.408415e+06 1.297583e+06 1.011244e+06 1.403545e+06 2.677824e+05 8.135347e+05 9.788078e+05 1.691996e+06 1.129679e+06 1.041603e+06 1.213655e+06 1.148890e+06 1.225078e+06 1.421472e+06 9.620077e+05 9.962160e+05 7.143708e+05 7.252437e+05 6.577359e+05 1.501856e+06 1.028953e+06 1.173753e+06 1.395963e+06 6.019038e+05 1.140386e+06 9.508776e+05 1.608627e+06 1.089661e+05 1.595259e+06 8.443019e+05 9.275107e+05 1.461552e+06 1.865813e+06 1.425790e+06 1.381147e+06 1.313018e+06 6.385465e+05 2.295702e+06 1.802156e+06 5.566573e+05 1.000983e+06 1.217159e+06 1.500143e+06 1.301443e+06 2.331184e+06 1.785310e+06 1.453514e+06 1.358412e+06 1.345296e+06 1.283267e+06 1.074497e+06 1.239737e+06 1.543723e+06 1.577633e+06 1.706750e+06 1.380784e+06 1.083121e+06 1.324850e+06 6.876588e+05 7.641397e+05 9.146991e+05 9.222648e+05 7.404628e+05 7.598267e+05 1.178799e+06 8.583070e+05 1.307985e+06 9.484147e+05 6.693810e+05 7.437572e+05 1.325381e+06 1.206936e+06 1.420668e+06 1.724305e+06 1.425271e+06 1.525605e+06 1.318096e+06 1.562614e+06 2.116985e+06 8.698703e+05 1.946592e+06 1.659100e+06 1.799139e+06 1.221095e+06 1.304145e+06 1.533470e+06 7.031765e+05 2.417008e+06 1.174295e+06 1.599047e+06 1.786915e+06 1.227900e+06 1.191079e+06 1.195267e+06 1.353474e+06 9.080016e+05 9.572233e+05 1.304633e+06 8.907867e+05 1.620911e+06 2.009865e+06 1.417488e+06 1.871884e+06 1.072236e+06 2.350166e+06 1.451497e+06 1.426956e+06 1.867999e+06 1.361892e+06 2.121692e+06 1.690452e+06 2.020287e+06 1.269167e+06 1.795234e+06 2.428396e+06 1.932902e+06 1.908837e+06 1.625823e+06 9.613514e+05 1.929131e+06 2.170314e+06 2.309431e+06 2.303728e+06 2.087759e+06 2.082937e+06 1.765555e+06 1.731149e+06 1.960032e+06 1.722200e+06 1.508323e+06 1.860058e+06 1.863942e+06 2.026768e+06 1.756112e+06 2.013506e+06 9.617909e+05 1.372265e+06 1.435021e+06 1.267550e+06 1.655396e+06 1.041780e+06 1.048860e+06 9.072090e+05 9.050473e+05 1.172487e+06 1.712051e+06 1.268573e+06 1.087663e+06 1.294386e+06 1.099226e+06 2.560431e+06 6.229909e+05 6.145794e+05 6.034050e+05 1.414965e+06 1.555040e+06 1.281632e+06 1.462222e+06 C17 H30 N3 P S_1.834 1.942267e+04 3.014181e+05 4.136926e+05 4.235884e+05 3.360600e+04 1.169823e+05 2.926291e+05 2.903690e+05 39969.04 3.070107e+05 2.217565e+05 4.778492e+05 47125.67 2.745055e+05 2.400565e+05 4.195787e+05 5.348885e+04 3.314311e+05 2.887842e+05 3.692118e+05 1.255150e+05 1.618342e+05 2.853767e+05 2.360856e+05 86675.370 4.570528e+05 3.047210e+05 1.583171e+05 6.023370e+04 3.095401e+05 4.869923e+05 3.521997e+05 70259.08 1.120043e+05 2.052516e+05 3.857122e+05 8.739815e+04 1.762206e+05 3.240814e+05 3.251866e+05 5.680137e+04 2.797589e+05 3.711478e+05 4.320762e+05 3.230222e+04 1.159371e+05 3.910306e+05 2.718553e+05 1.230379e+05 2.662770e+05 1.421472e+05 2.250923e+05 1.570693e+05 1.974505e+05 1.331496e+05 1.296962e+05 3.903836e+05 1.354828e+05 1.286762e+05 1.322657e+05 1.299726e+05 1.241203e+05 1.766540e+05 1.998550e+05 1.130437e+05 1.093609e+06 1.142255e+05 1.049737e+05 1.935611e+05 1.264483e+05 1.079174e+05 1.672902e+05 1.585638e+05 1.728029e+05 7.234040e+05 2.897083e+05 1.403659e+06 8.512349e+05 1.105989e+05 1.374872e+06 5.021775e+05 5.494317e+05 6.152458e+05 5.211695e+05 5.446159e+05 1.211759e+06 1.093568e+06 9.225900e+04 6.422072e+05 7.572527e+05 5.378319e+05 9.833719e+05 1.216268e+05 8.832584e+04 1.144305e+05 1.596148e+05 1.359025e+05 9.149919e+04 1.097139e+05 8.903663e+04 9.414034e+04 1.136040e+05 9.663796e+04 2.447172e+05 1.106056e+05 1.701862e+05 9.952064e+04 1.134431e+05 9.297248e+04 1.038098e+05 1.466275e+05 1.404752e+05 1.290843e+05 9.430286e+04 8.930091e+04 7.187568e+04 1.200701e+05 9.220736e+04 1.287082e+05 2.996382e+05 9.903377e+04 9.436495e+04 7.684008e+04 1.055361e+05 1.002752e+05 1.032748e+05 1.238618e+05 1.020666e+05 7.624939e+04 7.928048e+04 1.184507e+05 9.221351e+04 2.009298e+05 2.112359e+05 8.832936e+04 1.362038e+05 1.794219e+05 1.272951e+05 1.287577e+05 3.237735e+05 1.081528e+05 1.993005e+05 1.535743e+05 1.374629e+05 8.730877e+04 9.063042e+04 3.678302e+05 1.480032e+05 2.518370e+05 3.886440e+05 1.920739e+05 5.234915e+05 3.785533e+05 1.630156e+05 1.013007e+05 1.350189e+05 1.954191e+05 2.200691e+05 1.356441e+05 1.015044e+05 1.525042e+05 8.772461e+04 1.139306e+05 3.077903e+05 8.512256e+05 3.283972e+05 1.044797e+05 3.685277e+05 2.420800e+05 2.049544e+05 6.254532e+05 2.761585e+05 1.628901e+05 1.877105e+05 4.268042e+05 3.984680e+05 8.631893e+04 1.953051e+05 9.629754e+04 1.065662e+05 6.045320e+05 5.641801e+05 1.846231e+05 8.507563e+05 1.685821e+05 2.289546e+05 3.027045e+05 2.024077e+05 4.305204e+05 8.496246e+05 1.584879e+06 3.975747e+05 2.057389e+05 1.248723e+05 1.449789e+06 1.781719e+05 7.055251e+05 1.786815e+06 6.691847e+05 1.758493e+06 8.537356e+05 2.039468e+06 1.696537e+05 5.546650e+05 8.125748e+05 1.043845e+06 4.320840e+05 9.209954e+04 1.670389e+06 8.236485e+05 1.343222e+05 2.463394e+05 6.157338e+05 1.271615e+06 1.622785e+05 8.693499e+05 3.138586e+06 5.450006e+05 5.745826e+05 6.964602e+05 7.997528e+05 5.798753e+05 1.588998e+05 3.184658e+05 5.168984e+05 3.356597e+05 3.700818e+05 2.566768e+05 2.656792e+05 1.237952e+05 1.661429e+05 8.890261e+05 2.810447e+05 1.320510e+05 1.900412e+05 4.275810e+05 9.250248e+05 1.281014e+05 1.479022e+05 2.168744e+05 1.602461e+06 2.459706e+05 1.392896e+05 3.347491e+05 3.206098e+05 1.525719e+05 1.090301e+05 1.305212e+05 3.199191e+05 4.795288e+05 5.494212e+05 2.744782e+05 1.058052e+05 2.074379e+05 7.140658e+05 2.232610e+05 3.080364e+05 2.469586e+05 3.386517e+05 2.067999e+06 2.775952e+05 2.854976e+05 C10 H14_1.835 3.000222e+05 5.644925e+05 5.715990e+05 7.843510e+05 5.670748e+04 3.392524e+05 5.868139e+05 6.448134e+05 84535.43 5.458559e+05 5.881788e+05 6.708019e+05 53655.69 5.273023e+05 4.850488e+05 6.506775e+05 5.993455e+04 5.840576e+05 5.951276e+05 6.495437e+05 1.235991e+05 3.726253e+05 6.008767e+05 8.365344e+05 91872.106 4.858984e+05 3.792980e+05 6.605175e+05 8.916731e+04 4.941963e+05 5.881179e+05 8.061675e+05 103788.87 5.331026e+05 4.873790e+05 6.456267e+05 1.325730e+05 4.437458e+05 6.477537e+05 5.986831e+05 1.143959e+05 4.476785e+05 7.235048e+05 6.953844e+05 4.112973e+04 3.353182e+05 6.026491e+05 6.137952e+05 5.352747e+05 2.215576e+05 2.428139e+05 6.609766e+05 8.111982e+05 3.643738e+05 4.393655e+05 6.805389e+05 4.097218e+05 7.162923e+05 9.857059e+05 5.163620e+05 3.735342e+05 2.000990e+05 6.742323e+05 3.383639e+05 2.713489e+05 8.573169e+05 4.575038e+05 6.846471e+05 1.702245e+05 3.405000e+05 4.568812e+05 4.714924e+05 6.321921e+05 5.467777e+05 8.299219e+05 4.870777e+05 3.484412e+05 2.603249e+06 6.608213e+05 1.035634e+06 4.427238e+05 1.107025e+06 8.970237e+05 1.124196e+06 7.094661e+05 1.471104e+06 1.327479e+05 2.376271e+05 4.331092e+05 6.569829e+05 1.424406e+05 3.350974e+05 5.196584e+05 2.735567e+05 1.142151e+06 3.861597e+05 4.903209e+05 1.044057e+06 1.187298e+05 3.977753e+05 7.480247e+05 3.219582e+05 1.399094e+06 5.985837e+05 2.011387e+05 2.201622e+05 2.035054e+05 4.705022e+05 1.564282e+05 1.734280e+05 1.174104e+05 5.939747e+05 5.171510e+05 5.591192e+06 1.180741e+06 5.284218e+05 3.106470e+05 5.139060e+05 1.196149e+06 4.171538e+05 4.436117e+05 1.308990e+05 2.354946e+05 5.615513e+05 4.796316e+05 9.648702e+05 4.802248e+05 3.380403e+05 3.023640e+05 4.042250e+05 5.955790e+05 2.689072e+05 1.537250e+05 2.888363e+05 2.920136e+05 4.258255e+05 5.174238e+05 3.376409e+05 7.587195e+05 2.679433e+05 1.229368e+06 7.761278e+05 2.271484e+05 3.447187e+05 1.618226e+05 1.443417e+05 5.319664e+05 4.315427e+05 3.123661e+05 1.663476e+05 3.589909e+05 1.522046e+05 2.269904e+05 6.829474e+05 8.580219e+05 4.304918e+05 5.147986e+05 1.103744e+06 8.293250e+05 2.303817e+05 2.815660e+05 3.796081e+05 3.590393e+05 4.842092e+05 3.132947e+05 1.072233e+06 5.354600e+05 4.367229e+05 8.074225e+05 7.671619e+05 1.748513e+06 8.054498e+05 1.664794e+05 9.312462e+05 2.794482e+05 4.510539e+05 3.213826e+05 1.280510e+06 7.193771e+05 7.762265e+05 5.664475e+05 3.251962e+05 3.690482e+05 8.721461e+05 6.837998e+05 6.543037e+05 7.357370e+05 7.087573e+05 6.693794e+05 1.005745e+06 3.296748e+05 4.221366e+05 6.157118e+05 7.394675e+05 2.169310e+05 4.757517e+05 1.930839e+05 9.644493e+05 2.858734e+05 6.538975e+05 6.060962e+05 4.302826e+05 1.431104e+05 3.768521e+05 6.682667e+05 4.907429e+05 1.090272e+06 3.827000e+05 7.481304e+05 1.551480e+05 6.022975e+05 8.263635e+05 9.353241e+05 4.962930e+05 7.581599e+05 1.537109e+05 2.493652e+05 8.212008e+05 2.079445e+05 4.237710e+05 4.965728e+05 2.863118e+05 4.767978e+05 3.493566e+05 1.285740e+06 1.765600e+05 2.062025e+05 1.001143e+06 4.901960e+05 3.377803e+05 6.003775e+05 2.057549e+05 1.139951e+06 2.716178e+05 1.916682e+05 7.516023e+05 2.623340e+05 1.611958e+06 1.503731e+06 7.417880e+05 4.154370e+05 6.046675e+05 5.001058e+05 9.904655e+05 1.089722e+05 5.755570e+05 7.624961e+05 3.210928e+05 9.491320e+05 5.581444e+05 3.499636e+05 8.119377e+05 1.733755e+06 1.156057e+05 3.305225e+05 1.711328e+06 7.228606e+04 1.039664e+06 8.065374e+05 7.366096e+05 8.156971e+05 3.560805e+05 C10 H3 N8 O P3 S_1.835 3.569652e+04 3.225333e+05 3.158068e+05 3.508854e+05 5.613202e+04 1.255542e+05 3.231783e+05 3.111017e+05 42324.30 3.873206e+05 3.481083e+05 3.654833e+05 46317.29 3.451944e+05 2.902313e+05 3.499888e+05 5.110595e+04 3.207705e+05 3.270692e+05 3.549080e+05 9.544005e+04 2.865811e+05 3.687594e+05 3.523453e+05 65381.051 3.435567e+05 2.980819e+05 3.307063e+05 5.742498e+04 3.693112e+05 3.809132e+05 4.228463e+05 85586.41 1.708600e+05 3.704323e+05 2.976412e+05 1.099061e+05 3.646114e+05 3.898374e+05 2.290615e+05 7.422873e+04 2.430458e+05 4.248712e+05 5.140008e+05 3.655757e+04 2.060564e+05 4.075557e+05 2.587547e+05 1.368132e+05 2.324935e+05 2.637630e+05 3.971433e+05 1.971315e+05 1.163711e+06 2.183488e+05 2.016693e+05 1.110837e+05 2.918524e+05 3.328989e+05 9.860751e+04 6.636960e+05 4.494555e+05 1.451582e+06 3.238233e+05 6.661918e+05 1.176116e+05 7.200880e+05 6.949051e+05 4.109032e+05 1.140734e+06 1.742749e+06 1.173315e+06 1.052296e+06 1.184071e+06 1.456531e+05 1.372337e+05 2.416973e+05 1.464565e+05 7.522816e+04 1.244057e+05 7.890712e+04 2.718838e+05 1.948036e+05 1.512125e+05 8.329889e+04 2.494887e+05 1.555827e+05 7.367716e+04 5.104159e+05 3.025469e+05 1.759530e+06 4.614278e+05 1.338110e+05 8.118812e+05 6.329561e+05 1.190413e+05 2.152620e+06 1.161944e+05 7.452700e+05 2.717593e+05 1.064505e+06 7.839972e+05 7.486948e+04 1.388678e+06 1.613822e+05 2.487985e+06 1.651845e+06 2.456895e+06 7.152200e+04 9.980999e+04 9.798482e+04 5.562565e+05 1.375527e+06 1.193632e+05 8.740154e+04 1.002961e+05 9.087453e+04 1.215647e+05 1.116913e+05 1.203150e+05 1.250041e+05 1.160715e+05 9.090686e+04 1.392974e+05 9.614983e+04 1.266358e+05 9.077892e+04 1.132837e+05 9.066563e+04 7.764975e+04 9.802873e+04 1.150603e+05 1.029098e+05 9.100147e+04 6.067934e+05 1.269995e+05 1.222023e+05 8.999331e+04 1.019098e+05 1.156218e+05 1.019459e+05 1.384061e+05 9.884441e+04 8.227935e+04 8.568586e+04 1.043928e+05 1.210604e+05 9.861035e+04 1.138071e+05 1.572862e+05 8.572248e+04 1.485293e+05 2.550411e+05 1.361815e+05 1.512280e+05 8.473990e+04 2.641473e+05 7.436655e+05 9.044578e+05 1.399291e+05 1.198672e+05 5.528933e+05 1.173302e+05 1.494529e+05 5.662189e+05 1.270031e+05 2.088278e+05 9.949986e+04 1.599594e+05 1.146248e+05 2.806613e+05 7.260957e+04 2.515027e+05 8.323658e+05 1.634537e+06 4.538130e+05 6.555799e+05 9.452336e+05 1.070576e+06 7.117442e+05 1.902152e+06 5.402190e+05 6.424425e+05 6.328524e+06 2.721983e+05 1.613612e+05 1.862553e+05 2.942014e+05 1.384371e+07 2.342572e+05 7.512027e+06 1.532252e+05 2.122139e+05 3.799488e+05 1.433873e+06 9.945060e+04 1.014646e+07 5.093416e+06 9.659961e+04 6.654712e+06 7.731808e+06 5.691712e+06 1.367589e+05 1.668617e+05 2.596276e+05 2.088041e+05 2.759899e+05 1.020283e+05 4.868580e+05 1.579636e+05 1.342833e+05 3.075927e+05 1.310849e+05 4.956048e+05 6.181881e+05 6.383998e+05 1.314202e+07 1.647506e+05 8.097132e+05 1.639667e+05 8.795590e+05 3.398158e+05 1.128327e+05 1.370011e+05 9.911966e+04 9.729856e+05 4.174754e+05 1.563135e+05 1.188015e+05 3.770546e+05 1.193099e+05 5.644587e+05 1.320711e+05 1.574293e+05 4.075910e+05 3.927007e+05 7.435906e+05 1.582896e+05 5.463194e+05 9.691268e+04 3.108745e+05 6.735461e+05 9.507513e+05 1.074411e+06 7.450495e+05 4.751943e+05 1.256483e+06 8.212416e+05 1.997502e+05 2.202884e+06 2.528250e+05 9.477819e+04 5.540142e+05 1.183681e+05 9.666931e+05 6.966001e+04 8.745468e+04 1.339213e+05 1.300762e+05 2.620244e+05 1.105170e+06 1.349878e+06 Isobutylparaben_1.835 7.986685e+05 2.774516e+07 2.632603e+07 2.213684e+07 7.994104e+05 8.958690e+06 2.315584e+07 2.402624e+07 141612.40 2.341947e+07 2.113529e+07 2.569056e+07 640634.67 1.818678e+07 2.170773e+07 2.396404e+07 7.941328e+05 2.337664e+07 1.888144e+07 2.341393e+07 3.011377e+05 1.924748e+07 2.418752e+07 2.593235e+07 219172.502 2.048062e+07 2.014364e+07 2.190752e+07 5.686445e+05 2.146350e+07 2.181325e+07 2.736996e+07 305480.48 1.949102e+07 2.518661e+07 1.445888e+07 3.723641e+05 2.302371e+07 2.723076e+07 1.461537e+07 2.429342e+05 2.000164e+07 2.399860e+07 2.928212e+07 1.118494e+05 2.048903e+07 2.573072e+07 1.676270e+07 2.786513e+07 3.647064e+07 2.019134e+07 4.257878e+07 1.748317e+07 3.467920e+07 2.065305e+07 3.224760e+07 2.937793e+07 2.642001e+07 2.033151e+07 3.717139e+07 3.318393e+07 2.353732e+07 2.646307e+07 3.608078e+07 3.260478e+07 1.167130e+07 2.736599e+07 2.342879e+07 2.510289e+07 2.217586e+07 3.520911e+07 3.006215e+07 3.491293e+07 3.934895e+07 1.009617e+07 2.200195e+07 1.073944e+07 2.020310e+07 3.831708e+06 2.674522e+07 1.926847e+07 2.188440e+07 1.716968e+07 1.267493e+07 1.269735e+07 1.846477e+07 5.895991e+06 9.674521e+06 7.571288e+06 1.406760e+07 4.121993e+07 1.681672e+07 3.930758e+07 2.362950e+07 3.608665e+07 3.544304e+07 3.626082e+07 1.695314e+07 2.232039e+07 2.474087e+07 2.298966e+07 2.804500e+07 7.660777e+06 2.964127e+07 3.519712e+07 2.538881e+07 2.902125e+07 2.546847e+07 8.555969e+06 1.492500e+07 1.743241e+07 3.358443e+07 2.454084e+07 1.919670e+07 1.861616e+07 7.056401e+06 2.650238e+07 1.944703e+07 8.549647e+06 2.204117e+07 1.273111e+07 1.045822e+07 4.661185e+06 1.742677e+07 1.055752e+07 1.652436e+07 2.629467e+07 6.055690e+06 1.382962e+07 1.585863e+07 2.319112e+07 1.462906e+06 9.395171e+06 1.749996e+07 1.808707e+07 1.613572e+07 1.872399e+07 2.146535e+07 1.782577e+07 2.140165e+07 1.229565e+07 2.969331e+07 2.309161e+07 1.461420e+07 1.906744e+07 1.492104e+07 1.381380e+07 1.849011e+07 2.172046e+07 3.132719e+07 1.875739e+07 1.904663e+07 1.682809e+07 3.166900e+07 1.966280e+07 2.337952e+07 3.877485e+07 3.470873e+07 3.494715e+07 1.676231e+07 1.151947e+07 2.313965e+07 3.275794e+07 3.064638e+07 5.625517e+07 2.824124e+07 3.364309e+07 3.520771e+07 3.456012e+07 3.642096e+07 3.399944e+07 2.395075e+07 3.602546e+07 3.692138e+07 3.651978e+07 3.244131e+07 3.059319e+07 2.570201e+07 2.427063e+07 2.529247e+07 6.199298e+07 9.774077e+06 1.659824e+07 4.467549e+07 1.793247e+07 2.815762e+07 9.493025e+06 7.619023e+06 4.842913e+07 1.330664e+07 4.687211e+07 9.038397e+06 7.622077e+06 2.487564e+07 1.129916e+08 2.011343e+07 5.241753e+07 5.982103e+07 9.358456e+06 3.873794e+07 4.710564e+07 4.776445e+07 1.350704e+07 2.020566e+07 1.011931e+07 1.600762e+07 2.064372e+07 6.589140e+06 1.525002e+07 9.517249e+06 1.006820e+07 1.882369e+07 7.796340e+06 1.262951e+07 1.781700e+07 1.358424e+07 2.592225e+07 3.019840e+07 2.760280e+07 1.089971e+07 1.395130e+07 8.621112e+06 7.673403e+06 1.015497e+07 2.435056e+07 2.140319e+07 1.500784e+07 1.031223e+07 2.640611e+07 1.705304e+07 1.122463e+07 2.521089e+07 9.260133e+06 1.537305e+07 2.284297e+07 8.231448e+06 9.303463e+06 7.239673e+06 2.063863e+07 2.284042e+07 3.030299e+07 6.431159e+06 7.891752e+06 6.633756e+06 4.482320e+06 1.394139e+07 7.326406e+06 7.765151e+06 5.336371e+06 1.589987e+07 5.596417e+06 3.441745e+07 8.291463e+06 2.167178e+07 1.303723e+07 1.716297e+07 1.935562e+07 3.153296e+07 1.626735e+07 6.058291e+06 5.643359e+06 9.029111e+06 C15 H39 N7 O S2_1.835 3.680039e+04 1.688572e+06 1.875004e+06 1.662181e+06 5.774631e+04 9.745243e+05 1.721789e+06 1.899405e+06 43911.25 1.249898e+06 1.913193e+06 1.843263e+06 48702.53 1.508999e+06 1.299163e+06 1.691257e+06 5.513108e+04 1.605587e+06 1.408722e+06 1.932479e+06 1.062652e+05 1.457611e+06 1.581650e+06 1.429818e+06 76572.391 1.903307e+06 1.789042e+06 1.321162e+06 6.807766e+04 1.599156e+06 1.547054e+06 1.855658e+06 83632.46 1.408690e+06 1.652772e+06 1.538083e+06 8.621094e+04 1.596929e+06 1.806390e+06 1.252252e+06 5.676780e+04 1.829230e+06 1.521718e+06 1.523604e+06 3.161120e+04 2.086049e+06 1.348088e+06 1.602673e+06 1.208001e+06 1.692439e+06 3.689061e+05 4.895241e+05 2.862679e+05 1.327230e+06 4.963913e+05 1.268465e+05 4.894331e+05 3.825534e+05 5.421125e+05 1.568197e+06 7.028040e+05 3.886682e+05 5.195417e+05 5.393545e+05 5.317472e+05 1.148817e+06 1.535414e+06 5.010157e+05 5.878867e+05 5.535823e+05 9.247254e+05 6.792237e+05 6.929800e+05 9.339230e+05 1.534504e+06 1.270734e+06 1.578659e+06 2.009876e+06 8.177755e+05 1.419420e+06 1.373891e+06 1.468051e+06 1.156127e+06 1.654164e+06 1.024339e+06 1.193826e+06 7.790416e+05 6.922903e+05 1.569552e+06 1.300852e+06 1.863694e+06 1.447604e+06 1.125951e+06 1.053790e+06 8.881465e+05 9.444230e+05 1.472234e+06 1.337094e+06 9.695638e+05 9.063917e+05 9.478084e+05 1.652359e+06 8.775632e+05 1.298367e+06 1.224118e+06 1.594125e+06 8.682628e+05 1.426389e+06 8.926655e+05 1.483249e+06 1.657659e+06 2.020866e+06 1.428385e+06 1.836442e+06 2.001067e+06 1.147801e+06 2.980840e+06 1.734895e+06 1.523708e+06 2.037238e+06 7.624790e+05 9.782813e+05 6.743129e+05 2.678655e+06 1.313171e+06 1.672619e+06 2.908346e+06 1.166768e+06 1.539423e+06 1.992319e+06 2.043666e+06 4.149079e+05 1.494344e+06 1.670341e+06 1.508123e+06 1.940186e+06 1.521271e+06 2.240309e+06 2.090983e+06 1.907400e+06 2.167855e+05 2.994152e+06 2.500120e+06 1.671557e+05 2.518857e+05 4.879196e+05 4.656681e+05 4.984769e+05 7.158981e+05 7.327135e+05 7.238188e+05 9.534011e+05 7.205747e+05 1.178725e+06 9.899178e+05 9.375840e+05 2.064713e+06 2.561948e+06 2.757673e+06 1.186268e+06 1.516856e+06 1.239693e+06 9.541819e+05 5.802361e+05 1.536975e+06 9.751287e+05 9.834822e+05 8.980374e+05 8.023506e+05 9.118520e+05 1.324712e+06 1.093895e+06 1.500557e+06 1.290043e+06 1.901249e+06 1.923106e+06 5.595218e+05 6.306118e+05 7.570334e+05 5.953594e+05 2.302757e+06 1.173143e+06 1.761265e+06 2.357455e+06 1.639431e+06 1.185384e+06 1.623709e+06 1.378642e+06 3.974728e+06 1.303694e+06 2.677566e+06 1.263672e+06 3.473579e+05 1.883487e+06 3.134113e+06 9.694434e+05 2.543022e+06 2.590587e+06 1.103352e+06 2.369185e+06 2.727519e+06 3.321390e+06 1.128924e+06 9.201085e+05 1.657349e+06 1.273294e+06 2.174979e+06 5.938609e+05 2.286875e+06 1.800348e+06 1.271738e+06 1.852232e+06 1.124324e+06 1.750619e+06 1.457573e+06 1.655714e+06 2.576314e+06 1.595262e+06 2.668155e+06 1.628667e+06 2.367259e+06 1.281678e+06 8.435006e+05 1.598845e+06 2.541043e+06 2.644913e+06 2.298491e+06 1.793204e+06 1.985256e+06 1.376111e+06 2.330010e+06 2.294189e+06 8.575217e+05 1.576846e+06 3.208019e+06 8.968624e+05 1.321054e+06 1.020203e+06 1.426356e+06 9.948359e+05 2.061907e+06 5.109880e+06 5.658666e+06 6.190340e+06 3.434271e+06 3.519651e+06 5.697089e+06 4.439123e+06 4.783681e+06 7.616859e+06 4.739307e+06 5.083881e+05 4.660295e+06 1.170225e+06 1.094331e+07 4.454585e+05 6.070414e+05 5.520239e+05 8.476968e+05 3.951905e+06 4.805957e+06 5.751916e+06 C10 H16 O_1.836 9.309251e+05 1.193995e+06 1.309592e+06 1.373920e+06 2.897580e+05 6.607659e+05 1.356322e+06 1.222057e+06 474796.01 1.115858e+06 1.171813e+06 1.412174e+06 144370.82 1.118534e+06 1.061323e+06 1.262030e+06 2.513188e+05 1.147898e+06 1.205703e+06 1.251253e+06 2.288312e+05 9.811017e+05 1.105234e+06 1.604931e+06 283539.278 9.868712e+05 9.798987e+05 1.352795e+06 4.131540e+05 9.906032e+05 1.293376e+06 1.580884e+06 331843.49 9.572344e+05 1.057715e+06 1.277223e+06 2.304111e+05 9.790348e+05 1.197226e+06 1.184238e+06 1.489864e+05 1.259698e+06 1.199260e+06 1.464943e+06 1.103424e+05 7.765980e+05 1.268106e+06 1.197784e+06 8.694444e+05 4.057800e+05 4.586277e+05 1.569412e+06 1.740239e+06 6.688884e+05 8.815080e+05 1.016264e+06 6.115524e+05 1.478794e+06 2.386457e+06 9.897549e+05 5.359973e+05 3.512611e+05 1.459182e+06 7.015558e+05 4.826745e+05 1.844321e+06 9.327617e+05 1.289654e+06 3.997412e+05 6.475991e+05 8.283401e+05 7.945484e+05 1.415221e+06 1.023445e+06 1.793311e+06 8.791208e+05 6.885226e+05 6.021314e+06 1.560666e+06 2.105292e+06 8.638395e+05 3.692796e+06 2.540191e+06 2.377443e+06 1.300514e+06 4.593482e+06 3.275604e+05 3.398052e+05 8.440322e+05 1.960250e+06 2.500326e+05 4.734718e+05 9.490019e+05 8.663687e+05 3.950485e+06 6.096081e+05 8.683845e+05 2.733611e+06 5.819431e+05 6.286877e+05 1.988065e+06 5.032294e+05 4.311665e+06 9.395539e+05 6.311753e+05 3.415218e+05 4.307391e+05 1.125106e+06 6.884815e+05 6.826557e+05 2.144246e+05 1.426478e+06 1.072935e+06 1.629269e+07 3.515618e+06 1.318449e+06 6.284865e+05 8.043718e+05 3.080427e+06 9.462798e+05 1.041868e+06 2.570150e+05 7.337705e+05 1.355062e+06 1.160270e+06 2.011809e+06 1.110281e+06 7.607007e+05 5.951797e+05 7.633246e+05 1.275483e+06 5.963008e+05 3.922773e+05 4.700941e+05 7.911137e+05 8.241844e+05 1.284969e+06 5.049175e+05 1.585317e+06 4.154627e+05 3.695957e+06 1.495017e+06 3.990627e+05 5.827953e+05 3.948866e+05 6.417066e+05 1.187334e+06 7.826684e+05 6.650887e+05 5.360671e+05 6.236612e+05 6.474795e+05 3.495517e+05 1.186812e+06 3.038452e+06 8.772530e+05 7.582082e+05 2.449095e+06 1.951436e+06 3.923072e+05 6.811499e+05 8.066847e+05 6.559231e+05 9.349549e+05 4.635562e+05 2.861268e+06 1.419160e+06 8.949885e+05 2.170087e+06 1.707462e+06 5.699265e+06 1.464033e+06 2.913669e+05 3.354078e+06 5.457485e+05 8.683505e+05 6.856375e+05 2.733131e+06 1.616041e+06 1.751646e+06 1.349259e+06 6.336687e+05 6.336210e+05 1.706029e+06 1.255276e+06 1.433913e+06 1.587868e+06 1.568668e+06 1.435045e+06 2.446123e+06 4.797919e+05 7.024515e+05 1.417900e+06 1.518762e+06 4.669619e+05 1.223350e+06 9.737222e+05 1.994079e+06 5.170445e+05 1.707344e+06 1.200091e+06 9.488313e+05 5.876171e+05 7.519226e+05 1.779840e+06 1.036044e+06 2.211316e+06 7.861635e+05 1.733813e+06 3.673378e+05 1.143457e+06 1.260248e+06 1.847615e+06 9.058453e+05 1.939368e+06 5.372792e+05 5.220924e+05 1.826458e+06 5.547390e+05 8.528308e+05 9.441810e+05 5.919253e+05 8.533641e+05 1.035468e+06 3.887864e+06 6.616114e+05 4.818263e+05 2.001471e+06 9.584655e+05 6.053271e+05 1.287787e+06 4.454052e+05 3.385985e+06 6.982061e+05 3.413542e+05 1.704807e+06 4.829105e+05 5.483693e+06 4.016671e+06 1.734178e+06 7.821310e+05 1.320994e+06 8.587626e+05 2.193849e+06 4.735803e+05 1.361957e+06 1.483678e+06 7.760047e+05 3.073255e+06 9.790545e+05 5.599011e+05 1.988847e+06 5.186832e+06 2.031068e+05 5.866780e+05 5.064551e+06 2.349030e+05 3.495062e+06 1.557292e+06 1.509714e+06 1.674375e+06 7.169525e+05 C13 H36 N9 O4 P_1.836 2.900388e+04 4.724138e+05 4.398240e+05 3.006408e+05 4.707739e+04 1.780281e+05 2.922184e+05 3.828329e+05 38068.12 3.822886e+05 3.291045e+05 4.133120e+05 40463.42 3.355593e+05 3.372345e+05 4.675155e+05 4.547801e+04 2.888386e+05 2.880617e+05 2.711709e+05 9.142084e+04 3.451147e+05 3.693594e+05 4.590516e+05 61985.520 3.578859e+05 3.247695e+05 3.031830e+05 5.843556e+04 3.622975e+05 3.905185e+05 2.700152e+05 79533.24 3.291030e+05 4.545771e+05 3.447031e+05 9.414368e+04 3.535373e+05 2.916070e+05 3.747235e+05 6.422305e+04 2.652306e+05 4.216472e+05 3.593620e+05 3.338347e+04 9.430564e+04 4.313301e+05 2.686014e+05 3.670161e+05 2.356760e+05 1.365779e+05 1.736220e+05 1.169906e+05 3.018593e+05 2.004825e+05 1.724865e+05 2.119716e+05 1.033796e+05 1.219283e+05 8.550029e+04 1.504960e+05 1.930329e+05 1.031702e+05 1.359720e+05 2.057508e+05 1.099763e+06 8.858240e+04 1.160161e+05 1.039881e+05 1.074282e+05 1.291663e+05 1.255447e+05 1.246071e+05 1.656506e+05 9.871206e+05 3.552550e+05 9.026368e+05 8.372530e+05 9.824479e+05 1.785099e+06 5.480316e+05 2.999527e+05 4.408730e+05 5.804346e+05 2.623840e+05 1.232609e+06 1.006833e+06 1.302135e+05 8.548401e+05 6.743656e+05 5.031867e+05 1.016402e+06 1.829122e+05 9.020524e+04 1.215392e+05 1.775426e+05 1.172722e+05 1.021639e+05 1.104302e+05 1.027979e+05 7.738502e+04 1.065335e+05 1.164987e+05 1.196040e+05 1.604508e+05 2.524585e+05 1.050150e+05 1.893883e+05 2.058092e+05 9.979322e+04 3.369531e+05 9.701082e+04 1.050718e+05 1.684221e+05 7.694113e+04 8.969149e+04 8.690176e+04 1.019583e+05 1.433188e+05 2.143967e+05 1.387951e+05 9.802710e+04 8.832283e+04 1.092039e+05 1.265749e+05 2.180349e+05 1.775241e+05 1.563508e+05 6.558619e+04 6.824503e+04 2.162422e+05 8.678476e+05 2.396111e+05 2.108755e+05 2.473933e+05 1.079207e+05 1.847737e+05 1.555850e+05 1.335062e+05 2.633915e+05 1.698834e+05 1.478350e+05 1.345723e+05 1.869308e+05 7.602228e+04 1.470512e+05 1.700610e+05 1.614357e+05 1.057952e+05 3.518049e+05 1.294697e+05 5.831920e+05 3.754344e+05 1.236591e+05 7.115116e+04 1.221920e+05 1.230688e+05 9.817649e+04 1.191977e+05 8.699506e+04 1.114518e+05 1.409253e+05 1.524497e+05 2.817004e+05 7.853384e+05 3.793747e+05 1.368789e+05 3.794060e+05 3.064601e+05 1.886610e+05 7.002983e+05 1.165047e+05 1.163474e+05 2.213791e+05 4.963254e+05 3.998510e+05 1.483614e+05 1.693112e+05 7.561835e+04 1.600106e+05 3.035129e+05 1.049540e+06 9.989734e+04 1.285477e+06 1.155493e+05 2.537811e+05 4.016227e+05 2.143067e+05 6.025581e+05 4.687770e+05 1.372649e+06 3.392409e+05 1.532025e+05 2.359064e+05 1.100382e+06 1.992606e+05 5.544781e+05 1.916610e+06 7.746854e+05 1.461895e+06 7.369759e+05 1.503863e+06 1.170549e+05 6.862570e+05 7.614002e+05 2.235513e+05 4.013991e+05 1.692023e+05 1.041041e+06 2.639606e+05 1.544586e+05 1.869328e+05 6.913498e+05 8.889449e+05 1.164947e+05 7.800744e+05 3.543194e+06 2.766580e+05 4.826700e+05 4.631235e+05 5.046524e+05 3.955127e+05 1.157571e+05 1.247966e+05 2.262539e+05 4.865948e+05 1.506748e+05 1.416898e+05 2.267288e+05 1.838875e+05 1.128980e+05 6.934714e+05 4.229179e+05 1.371763e+05 1.377518e+05 5.685429e+05 8.115726e+05 1.429445e+05 1.579160e+05 2.185682e+05 6.301120e+06 1.486937e+05 1.671303e+05 3.482645e+05 2.887310e+05 6.933906e+05 3.092346e+05 1.427805e+05 4.475628e+05 2.723403e+05 6.689985e+05 3.434455e+05 1.553112e+05 2.403528e+05 6.788371e+05 4.756603e+05 6.456327e+05 3.388912e+05 3.400672e+05 2.236821e+05 2.657256e+05 2.377182e+05 Voglibose_1.837 4.222724e+04 4.409496e+06 3.995898e+06 3.837047e+06 6.286152e+04 2.588345e+06 4.125357e+06 3.794545e+06 53563.27 3.773948e+06 4.010291e+06 4.238203e+06 60091.61 3.640600e+06 3.434838e+06 3.754431e+06 1.356636e+05 3.909578e+06 3.698544e+06 4.213164e+06 1.202490e+05 3.178822e+06 3.993449e+06 4.197487e+06 84445.373 3.804182e+06 3.749482e+06 3.872103e+06 8.713594e+04 3.475926e+06 3.633605e+06 4.446892e+06 99746.34 3.530949e+06 4.164030e+06 3.716512e+06 1.153126e+05 3.010472e+06 4.084996e+06 3.651066e+06 7.411143e+04 3.968269e+06 3.547383e+06 4.369793e+06 3.781173e+04 3.471016e+06 4.612271e+06 3.145717e+06 1.824656e+06 2.655407e+06 2.129827e+06 3.731922e+06 2.477850e+06 3.096319e+06 2.830643e+06 2.107963e+06 3.188343e+06 3.257772e+06 4.463844e+06 3.214963e+06 5.862503e+06 2.915917e+06 3.710157e+06 4.493101e+06 4.148264e+06 4.061009e+06 3.768209e+06 4.080717e+06 4.338008e+06 3.947304e+06 5.026227e+06 5.452284e+06 4.232282e+06 5.686403e+06 4.131764e+06 4.330488e+06 5.021672e+06 4.253712e+06 3.258732e+05 2.824001e+06 4.122759e+06 3.297886e+06 2.863228e+06 3.910486e+06 3.166444e+06 2.640910e+06 3.404627e+06 2.008052e+06 4.201221e+06 4.442246e+06 4.863101e+06 4.825049e+06 3.833368e+06 3.398076e+06 5.288533e+06 3.679466e+06 4.571177e+06 2.825249e+06 3.919283e+06 3.670970e+06 3.070675e+06 4.471110e+06 2.181666e+06 4.167017e+06 4.045088e+06 3.710172e+06 3.007982e+06 4.277725e+06 1.079607e+06 1.972386e+06 3.250644e+06 5.217392e+06 4.452324e+06 2.792123e+06 3.698668e+06 2.979562e+06 3.684776e+06 3.567687e+06 2.766320e+06 3.354845e+06 2.009189e+06 1.913119e+06 1.705071e+06 4.606113e+06 2.618934e+06 2.686866e+06 4.537709e+06 1.534378e+06 2.980296e+06 2.834933e+06 4.310287e+06 1.224765e+05 3.251420e+06 3.562224e+06 2.431214e+06 3.516807e+06 4.679838e+06 4.301457e+06 3.612764e+06 3.395279e+06 1.634294e+06 6.749195e+06 4.423705e+06 1.948973e+06 2.664223e+06 3.331570e+06 4.522717e+06 3.624319e+06 6.440489e+06 5.041470e+06 3.887177e+06 5.390447e+06 4.113925e+06 4.130419e+06 2.806974e+06 3.330477e+06 4.345403e+06 4.464249e+06 4.981834e+06 3.721925e+06 2.777761e+06 3.455246e+06 2.086679e+06 2.326437e+06 4.382376e+06 3.076778e+06 2.273165e+06 2.796050e+06 2.722528e+06 2.180784e+06 4.674226e+06 2.571741e+06 2.384700e+06 2.693934e+06 3.966130e+06 3.941499e+06 4.282262e+06 4.063498e+06 3.682767e+06 5.246992e+06 5.167922e+06 5.597800e+06 5.471164e+06 4.464494e+06 5.887805e+06 5.285831e+06 5.671172e+06 3.111682e+06 4.493629e+06 5.329086e+06 4.736015e+06 6.910436e+06 4.141011e+06 5.208468e+06 6.485526e+06 3.977093e+06 4.138562e+06 7.422599e+06 5.554875e+06 2.866731e+06 4.581819e+06 3.169083e+06 2.557999e+06 5.408492e+06 6.349700e+06 4.507282e+06 6.904855e+06 3.556576e+06 1.058343e+07 5.090834e+06 3.866936e+06 5.446804e+06 4.017622e+06 8.538205e+06 5.661568e+06 8.300233e+06 4.950467e+06 5.764430e+06 8.140068e+06 6.123037e+06 6.915742e+06 5.198516e+06 3.061452e+06 5.211955e+06 6.432247e+06 7.154320e+06 6.638866e+06 5.181927e+06 6.735721e+06 4.955828e+06 5.873383e+06 7.530953e+06 5.220164e+06 4.573470e+06 6.380589e+06 4.737532e+06 7.347014e+06 4.826938e+06 5.494995e+06 2.754891e+06 7.138432e+06 3.744507e+06 4.013559e+06 5.018284e+06 3.202047e+06 2.600925e+06 2.729898e+06 2.761741e+06 3.577434e+06 5.919186e+06 4.176472e+06 3.836767e+06 3.876474e+06 2.841951e+06 8.458953e+06 2.183666e+06 2.439297e+06 1.933843e+06 3.953641e+06 4.854123e+06 3.785727e+06 4.302750e+06 C39 H66 N4 O9_1.838 7.457174e+04 6.389798e+05 5.845452e+05 6.318848e+05 1.142679e+05 3.958189e+05 5.947913e+05 5.867049e+05 92027.35 5.763519e+05 6.341003e+05 6.493807e+05 100278.46 4.835392e+05 4.903665e+05 7.727702e+05 7.167210e+04 5.165698e+05 4.955037e+05 6.835059e+05 1.980579e+05 4.050284e+05 5.850814e+05 6.418204e+05 132944.410 6.493032e+05 5.133485e+05 5.967203e+05 1.224573e+05 4.890238e+05 5.909545e+05 7.597162e+05 140523.51 3.853202e+05 6.618349e+05 6.083198e+05 1.708473e+05 4.436934e+05 7.507874e+05 6.358155e+05 1.303218e+05 3.056542e+05 6.165476e+05 6.447691e+05 6.991551e+04 5.060123e+05 6.563656e+05 5.395913e+05 6.008103e+05 1.880548e+05 2.069642e+05 2.292630e+05 1.756131e+05 1.841401e+05 1.770834e+05 2.448453e+05 1.859284e+05 2.247117e+05 2.198590e+05 2.099470e+05 2.687013e+05 1.991039e+05 2.117627e+05 2.508862e+05 2.441124e+05 2.193103e+05 1.931246e+05 1.886334e+05 1.902271e+05 2.042635e+05 2.304822e+05 2.527669e+05 2.166687e+05 2.498677e+05 1.581277e+05 1.667746e+05 2.146735e+05 2.188590e+05 1.566563e+05 2.021733e+05 1.718274e+05 8.847133e+05 1.899224e+05 1.871379e+05 1.726434e+05 2.296721e+05 2.275628e+05 1.239919e+05 1.850494e+05 1.816780e+05 2.035927e+05 2.386170e+05 1.886886e+05 1.914528e+05 2.584361e+05 1.701989e+05 2.317277e+05 2.134383e+05 2.000191e+05 1.862288e+05 1.841879e+05 2.031546e+05 1.503053e+05 2.125294e+05 2.134322e+05 1.753302e+05 1.855584e+05 1.818298e+06 1.394267e+05 1.805422e+05 1.785268e+05 2.111390e+05 2.157370e+05 2.080303e+05 1.903565e+05 2.104064e+05 1.773795e+05 1.989756e+05 1.946374e+05 1.867250e+05 2.311626e+05 2.078279e+05 1.752883e+05 2.072822e+05 1.841006e+05 2.013842e+05 1.955890e+05 1.917511e+05 1.624658e+05 2.379713e+05 1.955987e+05 1.782825e+05 1.908862e+05 1.714541e+05 1.534057e+05 1.799051e+05 2.236477e+05 1.824466e+05 1.866733e+05 2.480852e+05 1.919014e+05 2.349191e+05 1.910545e+05 1.302109e+05 1.663226e+05 1.874503e+05 2.000614e+05 1.757568e+05 2.486798e+05 2.346800e+05 1.989749e+05 2.286770e+05 1.933049e+05 2.188947e+05 1.543414e+05 1.875530e+05 2.189266e+05 1.979082e+05 1.958470e+05 2.150143e+05 1.968727e+05 1.656761e+05 1.403129e+05 1.573244e+05 1.954838e+05 1.739332e+05 1.843822e+05 1.683027e+05 1.672363e+05 1.801344e+05 2.132604e+05 1.794330e+05 2.068686e+05 1.655889e+05 1.992311e+05 1.584745e+05 1.779965e+05 2.475849e+05 1.713053e+05 1.859208e+05 3.433544e+05 2.158633e+05 1.757910e+05 2.970781e+05 2.679615e+05 1.932567e+05 2.550251e+05 3.142522e+06 3.141330e+05 2.582530e+05 2.420121e+05 1.182962e+06 1.899987e+05 2.866424e+05 3.754927e+05 2.031456e+05 2.752849e+05 2.704836e+05 1.812897e+05 2.524172e+05 3.000996e+05 2.898300e+05 2.116092e+05 2.459720e+05 2.085353e+05 1.792614e+05 2.076963e+05 9.375245e+07 1.966422e+05 3.111490e+05 2.046469e+06 2.205217e+05 1.378780e+05 2.197578e+05 2.013848e+05 2.556105e+05 3.432090e+05 2.853395e+05 2.370748e+05 2.124460e+05 3.127005e+05 2.041019e+05 3.597725e+05 1.123939e+06 3.689206e+05 4.269617e+05 1.042322e+06 1.584831e+06 9.865986e+05 2.709335e+05 5.523922e+06 2.857518e+05 2.144685e+05 1.947486e+05 2.758149e+05 2.232177e+05 1.188627e+06 8.052030e+05 2.006125e+05 1.786377e+05 1.870247e+05 2.940484e+05 7.126550e+05 2.184296e+05 1.991117e+05 1.740854e+05 1.945755e+05 1.754677e+05 1.968437e+05 2.099883e+05 1.942697e+05 1.763003e+05 2.441113e+05 1.531099e+05 3.233621e+05 1.431631e+05 1.421590e+05 2.137552e+05 1.728267e+05 2.383029e+05 3.091730e+05 2.485457e+05 C10 H18 N10 O_1.84 8.699502e+04 2.161331e+06 1.771967e+06 1.969511e+06 1.285315e+05 1.002889e+06 1.863701e+06 2.065255e+06 110050.72 1.794683e+06 1.719331e+06 1.930568e+06 117389.78 1.607352e+06 1.692507e+06 1.851591e+06 3.196516e+05 1.874158e+06 1.870411e+06 1.829131e+06 2.322993e+05 1.301678e+06 1.923046e+06 2.268595e+06 160257.554 1.600065e+06 1.797756e+06 1.382945e+06 1.610606e+05 1.897353e+06 1.865475e+06 2.183555e+06 199285.28 1.391307e+06 2.017803e+06 1.670486e+06 2.181177e+05 1.787142e+06 1.929193e+06 1.836794e+06 1.600187e+05 1.153666e+06 1.788356e+06 2.295820e+06 8.291743e+04 1.750617e+06 1.892188e+06 1.572769e+06 3.066119e+05 1.060939e+06 2.576246e+05 1.415938e+06 2.820109e+05 1.271120e+06 4.654208e+05 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1.393300e+06 1.455333e+06 1.716297e+06 1.489239e+06 2.020305e+06 1.606493e+06 2.034816e+06 1.715398e+06 1.731482e+06 1.908394e+06 1.959740e+06 1.861655e+06 1.629142e+06 2.124594e+06 2.264019e+06 1.855494e+06 1.715550e+06 1.687839e+06 1.959976e+06 1.360193e+06 1.868755e+06 1.566652e+06 1.638037e+06 1.641390e+06 1.645664e+06 1.720949e+06 1.884370e+06 2.730666e+06 2.561846e+06 2.103234e+06 2.820478e+06 2.192436e+06 2.222814e+06 2.164155e+06 2.283904e+06 1.921798e+06 2.167459e+06 2.266693e+06 1.385269e+06 1.349639e+06 1.523316e+06 2.173512e+06 1.925677e+06 2.083609e+06 1.765454e+06 2.413654e+06 1.897394e+06 1.717620e+06 2.093552e+06 1.543691e+06 1.404906e+06 2.008997e+06 2.369486e+06 2.456723e+06 1.579895e+06 1.802735e+06 1.934614e+06 1.825222e+06 1.512840e+06 2.684594e+06 1.543291e+06 2.174108e+06 2.287149e+06 2.102297e+06 1.719541e+06 2.127536e+06 2.511978e+06 2.267165e+06 1.452494e+06 1.980366e+06 1.392147e+06 1.870109e+06 1.883105e+06 1.344808e+06 1.753966e+06 1.940124e+06 1.991644e+06 2.353690e+06 1.617056e+06 1.806767e+06 1.367504e+06 1.657817e+06 1.415120e+06 1.666604e+06 1.422758e+06 C35 H65 N O8 S_1.841 3.719628e+04 1.678282e+06 1.773887e+06 1.640855e+06 5.526788e+04 1.296631e+06 1.663207e+06 1.894881e+06 47180.92 1.537178e+06 1.568907e+06 1.879844e+06 52952.48 1.354606e+06 1.628577e+06 1.762530e+06 4.045091e+04 1.594420e+06 1.511822e+06 1.785149e+06 1.024734e+05 1.322078e+06 1.726567e+06 1.808996e+06 70441.004 1.756597e+06 1.457282e+06 1.462813e+06 7.133459e+04 1.697503e+06 1.606026e+06 2.048098e+06 89005.32 1.431892e+06 1.351321e+06 1.788930e+06 9.148426e+04 1.666258e+06 1.656587e+06 1.463223e+06 6.145911e+04 1.408729e+06 1.599222e+06 1.770194e+06 3.218250e+04 2.092279e+06 1.591170e+06 1.355703e+06 1.202067e+06 1.705644e+06 5.772730e+05 1.328445e+06 6.238785e+05 1.712355e+06 1.088686e+06 6.729090e+05 1.187384e+06 1.154460e+06 1.251197e+06 1.693510e+06 1.544122e+06 1.067903e+06 1.340369e+06 1.433217e+06 1.282267e+06 1.220287e+06 1.926463e+06 8.826581e+05 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8.945427e+05 8.902598e+05 9.460316e+05 1.525040e+06 1.433744e+06 1.282562e+06 1.514217e+06 1.196975e+06 1.563938e+06 1.167995e+06 1.265857e+06 2.341105e+06 2.570321e+06 2.802821e+06 1.719136e+06 1.737549e+06 1.640442e+06 1.114935e+06 9.648335e+05 1.767467e+06 1.058276e+06 9.845361e+05 1.013550e+06 1.200254e+06 1.176001e+06 1.540770e+06 1.080249e+06 1.534443e+06 1.163923e+06 1.952879e+06 2.160810e+06 1.106640e+06 1.218189e+06 1.261507e+06 1.379562e+06 3.114146e+06 1.128168e+06 1.623921e+06 2.317490e+06 1.789979e+06 1.609049e+06 1.577218e+06 1.532926e+06 2.923071e+06 1.052778e+06 2.401593e+06 2.172910e+06 8.257139e+05 2.295117e+06 3.406531e+06 1.364373e+06 2.635580e+06 2.926982e+06 1.121299e+06 2.384334e+06 2.384507e+06 3.137435e+06 1.555725e+06 1.203406e+06 1.710388e+06 1.319532e+06 1.933610e+06 9.205179e+05 2.223839e+06 1.968877e+06 1.693229e+06 1.761025e+06 1.026852e+06 1.778077e+06 1.799094e+06 1.753893e+06 3.528313e+06 1.703319e+06 2.179756e+06 1.935819e+06 1.904249e+06 1.541041e+06 1.312988e+06 2.091104e+06 2.624911e+06 2.605295e+06 2.137309e+06 2.165551e+06 2.201569e+06 1.497218e+06 1.831364e+06 2.189725e+06 1.573477e+06 1.659766e+06 2.361185e+06 1.235200e+06 1.935544e+06 1.392472e+06 1.679716e+06 1.604080e+06 2.198822e+06 3.336836e+06 2.659788e+06 3.742127e+06 2.377203e+06 2.355170e+06 3.120100e+06 2.385271e+06 2.696018e+06 4.351479e+06 2.715816e+06 1.011155e+06 2.852985e+06 1.585703e+06 5.615632e+06 8.294551e+05 9.050572e+05 8.669949e+05 1.149843e+06 2.975982e+06 2.648354e+06 3.603422e+06 C13 H22 O5_1.842 8.517424e+04 1.293510e+06 1.477207e+06 1.351177e+06 1.232146e+05 7.397754e+05 1.408472e+06 1.425785e+06 93337.43 1.174190e+06 1.288591e+06 1.599456e+06 103110.38 1.129411e+06 1.123664e+06 1.206310e+06 1.279029e+05 1.263413e+06 1.238830e+06 1.440067e+06 2.101854e+05 1.020680e+06 1.375025e+06 1.419724e+06 144714.513 1.225535e+06 1.295966e+06 1.112294e+06 1.491623e+05 1.385300e+06 1.250869e+06 1.483649e+06 192961.51 9.425266e+05 1.367082e+06 1.443196e+06 1.952872e+05 1.038156e+06 1.296738e+06 1.178036e+06 1.460530e+05 1.266453e+06 1.450331e+06 1.521960e+06 7.284024e+04 9.170336e+05 1.496819e+06 1.104905e+06 5.361750e+05 8.276522e+05 6.437626e+05 1.012337e+06 6.007787e+05 1.546432e+06 9.567522e+05 5.695410e+05 1.064038e+06 7.660028e+05 1.128232e+06 8.644104e+05 1.703759e+06 9.997602e+05 1.364334e+06 1.082407e+06 9.694208e+05 3.152845e+05 6.026653e+05 1.113864e+06 1.140358e+06 1.048206e+06 1.430974e+06 1.182961e+06 1.442740e+06 1.431679e+06 5.197704e+05 4.683842e+05 4.201536e+05 6.305025e+05 2.382999e+07 4.887499e+05 5.740452e+05 6.714615e+05 3.122866e+05 5.668246e+05 3.327928e+05 2.760112e+05 3.063600e+05 1.809582e+05 5.172352e+05 3.868688e+05 7.362502e+05 4.123754e+05 1.228564e+06 8.604326e+05 1.153287e+06 9.987141e+05 9.095603e+05 2.824938e+05 1.124063e+06 1.169284e+06 5.576702e+05 8.356231e+05 1.644580e+05 5.823808e+05 7.314017e+05 1.189440e+06 4.594684e+05 1.125084e+06 5.482989e+05 2.718136e+05 3.173274e+05 1.352187e+06 1.273240e+06 2.244476e+05 5.354790e+05 3.247456e+05 5.806026e+05 3.215726e+05 2.351388e+05 9.257203e+05 2.841152e+05 2.835941e+05 2.231458e+05 7.392423e+05 3.184543e+05 3.211033e+05 5.928678e+05 3.353708e+05 3.650045e+05 3.136071e+05 1.168614e+06 2.324611e+06 7.921285e+05 1.011307e+06 8.611726e+05 6.440486e+05 1.434220e+06 1.277937e+06 1.022803e+06 9.545416e+05 2.064535e+06 1.865793e+06 1.375544e+06 2.298620e+06 3.286435e+06 3.515162e+06 3.713076e+06 4.022078e+06 8.313608e+06 4.670917e+06 3.679671e+06 1.843011e+06 1.030524e+06 7.812563e+05 7.741931e+05 9.901095e+05 1.430721e+06 1.163637e+06 1.334361e+06 7.694194e+05 7.762684e+05 8.439887e+05 6.784487e+05 1.503679e+06 2.350811e+06 1.631109e+06 5.309781e+05 1.898673e+06 1.065458e+06 1.141540e+06 1.782760e+06 6.381804e+05 1.467826e+06 1.658455e+06 2.141497e+06 2.121107e+06 1.359970e+06 1.011153e+06 1.061284e+06 1.297812e+06 2.593437e+06 7.118710e+05 8.343518e+05 1.761801e+06 3.599198e+06 1.073529e+06 8.637260e+05 8.100273e+05 1.970967e+06 4.177200e+05 1.627970e+06 1.412569e+06 5.085543e+05 1.200896e+06 4.450839e+06 7.117551e+05 2.076903e+06 2.526422e+06 5.540678e+05 1.598545e+06 1.247343e+06 1.989055e+06 7.024263e+05 7.349770e+05 8.055984e+05 5.625319e+05 6.190793e+05 3.631485e+05 8.191701e+05 4.955569e+05 3.944194e+05 6.923779e+05 5.484705e+05 7.949455e+05 5.250122e+06 8.990008e+05 1.744847e+06 5.769960e+05 1.039140e+06 3.530870e+06 9.188451e+05 6.236942e+05 2.788377e+05 1.165778e+06 1.261332e+06 9.746882e+05 8.004997e+05 1.202893e+06 1.137855e+06 2.637707e+06 7.970323e+05 9.462784e+05 9.022288e+05 5.533366e+05 5.761770e+05 6.028160e+05 7.933981e+05 7.620858e+05 3.861295e+05 1.371935e+06 3.148964e+06 1.148672e+06 9.509281e+05 1.210830e+06 5.868048e+05 5.871960e+05 9.968586e+05 5.802165e+05 9.667196e+05 1.229167e+06 1.076716e+06 1.369767e+06 7.938423e+05 1.115057e+06 2.254752e+06 1.605706e+06 1.592205e+06 9.543142e+05 2.144250e+06 1.873785e+06 1.239100e+06 8.910576e+05 C9 H7 N_1.842 2.717846e+06 9.241251e+05 1.027877e+06 5.891694e+05 1.139639e+05 6.378056e+05 5.775737e+05 9.318647e+05 54725.51 8.595134e+05 1.123596e+06 7.030384e+05 61557.06 4.413106e+05 8.198712e+05 1.008339e+06 4.745780e+04 7.832403e+05 6.545183e+05 8.732082e+05 1.348904e+05 6.694344e+05 9.699214e+05 9.255214e+05 110308.822 5.418954e+05 9.473304e+05 7.826786e+05 1.183711e+05 5.133526e+05 9.629012e+05 9.582998e+05 83415.14 7.093106e+05 7.877151e+05 8.248881e+05 8.508193e+04 6.370026e+05 8.065412e+05 9.936935e+05 5.891040e+04 7.661055e+05 7.423120e+05 7.801268e+05 3.852778e+04 6.907541e+05 8.775776e+05 3.908438e+05 1.301309e+05 1.031847e+06 9.061998e+05 4.420462e+06 1.338662e+06 9.782428e+05 1.070019e+06 8.011278e+05 4.099862e+05 7.193300e+05 3.578588e+06 3.955175e+05 1.269689e+06 1.019674e+06 1.021565e+06 4.573302e+05 7.242103e+05 7.844463e+05 6.023390e+05 2.052024e+06 1.830176e+06 9.137552e+05 5.557922e+05 5.694830e+05 8.478497e+05 4.536437e+05 1.003474e+06 4.006225e+05 6.931499e+05 6.617922e+05 1.416185e+06 1.085137e+06 6.514532e+05 7.917303e+05 2.071060e+05 7.701039e+05 2.955419e+05 8.787744e+05 5.702637e+05 1.980342e+06 1.856884e+06 1.283800e+06 7.870216e+05 6.686723e+05 9.007361e+05 4.725902e+05 9.511662e+05 7.656729e+05 5.766116e+05 4.291316e+05 7.740563e+05 3.631324e+05 1.104982e+06 2.140111e+06 8.367780e+05 6.459076e+05 6.796130e+05 3.153790e+05 3.324494e+05 5.703280e+05 4.794372e+05 7.344185e+05 2.069113e+05 1.247001e+06 5.346273e+05 6.207547e+05 5.754325e+05 5.541574e+05 4.918426e+05 1.074139e+06 6.976820e+05 4.980352e+05 5.427008e+05 5.493374e+05 4.224490e+05 4.182134e+05 5.430521e+05 8.146618e+05 3.686815e+05 3.574215e+05 8.112378e+05 1.213656e+06 1.024089e+06 3.003686e+05 3.621089e+05 1.266187e+06 1.053591e+06 6.944539e+05 6.607989e+05 5.298579e+05 4.694446e+05 4.476660e+05 5.389188e+05 9.674642e+05 1.443155e+05 5.074410e+05 3.767928e+06 1.104062e+06 4.331948e+05 3.861621e+05 4.677027e+05 2.807016e+05 5.006619e+05 3.421223e+06 4.977141e+05 8.783410e+05 6.329177e+05 7.070641e+05 1.140511e+06 2.874086e+05 2.607911e+06 5.395151e+05 9.373131e+05 1.330014e+06 4.630264e+06 1.233596e+06 1.094221e+06 2.953956e+06 8.574149e+05 1.000082e+06 8.670411e+05 3.367236e+05 9.865055e+05 9.704121e+05 1.609889e+06 6.686611e+05 4.172364e+05 1.445840e+06 6.298732e+05 4.364124e+05 7.157417e+05 7.671684e+05 2.560018e+05 8.380635e+05 3.942907e+05 6.952735e+05 5.450252e+05 5.294294e+05 1.109262e+06 6.830724e+05 1.056276e+06 2.743310e+05 8.852972e+05 3.545856e+05 4.028510e+05 3.512189e+05 2.787235e+05 7.269953e+05 1.315445e+06 9.402996e+05 1.028694e+06 7.898708e+05 6.956219e+05 1.748826e+06 5.828632e+05 1.142953e+06 5.631882e+05 8.008370e+05 8.183883e+05 5.755737e+05 1.481251e+06 2.503791e+06 6.282517e+05 7.940687e+05 7.494589e+05 8.628423e+05 7.525968e+05 6.448638e+05 2.595463e+05 3.177736e+05 6.480852e+05 1.458724e+06 1.226857e+06 2.897715e+06 8.544205e+05 1.209608e+06 8.332046e+05 9.139493e+05 2.027087e+06 4.701627e+05 9.972342e+05 6.865269e+05 1.183743e+06 8.925357e+05 1.924562e+06 7.225594e+05 6.478676e+05 4.151881e+05 5.963602e+05 1.135899e+06 3.403264e+05 7.379315e+05 1.004982e+06 9.344063e+05 4.752878e+05 1.175491e+06 4.428119e+06 7.399900e+05 1.115307e+06 5.842238e+06 7.997566e+05 7.373990e+05 4.856740e+05 1.019682e+06 3.976216e+05 2.126671e+06 1.615194e+06 3.791547e+05 7.033541e+05 4.402014e+05 2.100604e+06 5.615116e+05 1.043137e+06 1.227356e+06 C13 H24 O6_1.844 7.295211e+04 1.502582e+06 1.557305e+06 1.282932e+06 1.065568e+05 7.295994e+05 1.465695e+06 1.478515e+06 83205.46 1.213651e+06 1.344878e+06 1.550874e+06 91463.90 1.216891e+06 1.279191e+06 1.322478e+06 7.373135e+04 1.270347e+06 1.187056e+06 1.504655e+06 1.914625e+05 1.146881e+06 1.388250e+06 1.572708e+06 136556.852 1.186280e+06 1.318026e+06 1.262481e+06 1.431553e+05 1.365064e+06 1.246322e+06 1.531065e+06 182401.89 9.872871e+05 1.573411e+06 1.444482e+06 1.852538e+05 1.050857e+06 1.412807e+06 1.345144e+06 1.267759e+05 1.066740e+06 1.456678e+06 1.599963e+06 6.718558e+04 1.151442e+06 1.456111e+06 1.156914e+06 6.148501e+05 7.606360e+05 6.428611e+05 1.127582e+06 7.255169e+05 1.800825e+06 8.398018e+05 4.300530e+05 1.039619e+06 8.593946e+05 1.298675e+06 7.751748e+05 1.675866e+06 1.174595e+06 1.370309e+06 1.174886e+06 1.034746e+06 2.944824e+05 6.033600e+05 1.028457e+06 1.156474e+06 1.021627e+06 1.271782e+06 1.161789e+06 1.293727e+06 1.600051e+06 4.223351e+05 4.655048e+05 4.201571e+05 5.374424e+05 2.905730e+07 3.493758e+05 4.536900e+05 4.259180e+05 2.894269e+05 5.274615e+05 2.444323e+05 3.857600e+05 2.852558e+05 2.673045e+05 3.204557e+05 3.440707e+05 6.940721e+05 3.275235e+05 1.343433e+06 7.685468e+05 1.066944e+06 8.409077e+05 6.796159e+05 3.376122e+05 9.961901e+05 1.007533e+06 3.879930e+05 8.322898e+05 1.558922e+05 6.083452e+05 5.930496e+05 9.602437e+05 4.949777e+05 1.235997e+06 5.853742e+05 2.581354e+05 3.044395e+05 1.542005e+06 1.190794e+06 1.915971e+05 3.183594e+05 2.709628e+05 4.900649e+05 2.920562e+05 2.430077e+05 1.088299e+06 3.454856e+05 2.301458e+05 2.153829e+05 5.242532e+05 1.770039e+05 3.102820e+05 4.075681e+05 4.276986e+05 2.849296e+05 1.912770e+05 1.382004e+06 2.921098e+06 9.356168e+05 1.112826e+06 8.043017e+05 6.446022e+05 1.562523e+06 1.338729e+06 1.081303e+06 1.096906e+06 2.405235e+06 1.746201e+06 1.423947e+06 2.745970e+06 3.929954e+06 4.293453e+06 4.126645e+06 4.966851e+06 8.499200e+06 5.526068e+06 4.493132e+06 1.989407e+06 1.192892e+06 7.064686e+05 6.987705e+05 8.269494e+05 1.233140e+06 1.361194e+06 1.478323e+06 7.094490e+05 6.738205e+05 7.108820e+05 6.058481e+05 1.679993e+06 2.875377e+06 1.716495e+06 6.946661e+05 1.893765e+06 1.440820e+06 1.498172e+06 2.208347e+06 7.073602e+05 1.544897e+06 1.984779e+06 2.288215e+06 2.401350e+06 1.356595e+06 1.167863e+06 1.117277e+06 1.344786e+06 2.665811e+06 6.709997e+05 7.102035e+05 1.935595e+06 3.762256e+06 8.812046e+05 6.010590e+05 6.407061e+05 2.088151e+06 4.168636e+05 1.973873e+06 1.366173e+06 4.881381e+05 9.345691e+05 4.848042e+06 6.909831e+05 2.339174e+06 2.726504e+06 5.683653e+05 1.613301e+06 1.538089e+06 2.058527e+06 7.130865e+05 3.727822e+05 5.880404e+05 5.256825e+05 5.529045e+05 3.511031e+05 7.589093e+05 4.228286e+05 5.713673e+05 6.598777e+05 4.414782e+05 7.494037e+05 5.855549e+06 7.469692e+05 1.991732e+06 4.398854e+05 9.486377e+05 4.388240e+06 8.357831e+05 5.428669e+05 2.638342e+05 7.894664e+05 1.257181e+06 8.310949e+05 8.248203e+05 1.006099e+06 8.902227e+05 3.072404e+06 6.496744e+05 5.645374e+05 9.498436e+05 3.276491e+05 6.392339e+05 5.870066e+05 7.428081e+05 8.681231e+05 2.489882e+05 1.579655e+06 3.861278e+06 1.292743e+06 1.106448e+06 1.144389e+06 6.321480e+05 7.528392e+05 9.166113e+05 6.217015e+05 1.062673e+06 1.513636e+06 1.148405e+06 1.634052e+06 8.437042e+05 1.200776e+06 2.244203e+06 1.658768e+06 1.713620e+06 9.390856e+05 2.127611e+06 1.690068e+06 1.311812e+06 1.019693e+06 N-ACETYLLEUCINE 1.585363e+06 7.711398e+05 1.362154e+06 4.795082e+05 1.171052e+05 5.442553e+05 8.486246e+05 1.467563e+06 51094.84 4.163091e+05 8.708749e+05 1.632632e+06 83027.61 4.680328e+05 6.879383e+05 1.321034e+06 5.171238e+04 4.569988e+05 6.927505e+05 1.233546e+06 8.514708e+04 3.081148e+05 1.059059e+06 1.671967e+06 59958.140 4.132304e+05 6.235079e+05 1.158821e+06 6.853189e+04 5.901628e+05 8.591574e+05 1.517587e+06 92641.72 3.742736e+05 8.952609e+05 1.181074e+06 9.998518e+04 3.340202e+05 9.673074e+05 1.498172e+06 6.460493e+04 2.396184e+05 1.048736e+06 1.436749e+06 3.428281e+04 3.687461e+05 6.649045e+05 1.051194e+06 1.338705e+05 1.671397e+05 3.967909e+05 1.299517e+06 5.858623e+05 7.460688e+05 1.104574e+06 7.767773e+05 3.937224e+05 8.771659e+05 2.382066e+06 3.385634e+05 1.197615e+06 7.675102e+05 1.053782e+06 4.785248e+05 5.643339e+05 1.145067e+05 8.430627e+05 6.819108e+05 6.871290e+05 5.070387e+05 6.555569e+05 1.237641e+06 7.704863e+05 4.727826e+05 1.295376e+06 8.277293e+05 7.662282e+05 3.074008e+05 1.380636e+06 9.139287e+05 3.251756e+05 3.774634e+05 2.513083e+05 8.595034e+05 5.464902e+05 7.712379e+05 2.063168e+05 5.326116e+05 4.203105e+05 8.049231e+05 9.372569e+05 8.228878e+05 5.333993e+05 7.739888e+05 7.629326e+05 8.204042e+05 9.480517e+05 4.958578e+05 3.948691e+05 4.577380e+05 9.916261e+05 9.247642e+05 5.594828e+05 8.675909e+05 9.626984e+05 6.013708e+05 5.065984e+05 8.883691e+05 5.618130e+05 8.799969e+05 5.404811e+05 5.314025e+05 1.072925e+06 2.157351e+05 4.368235e+05 1.057012e+06 3.476768e+05 1.221821e+06 8.829073e+05 1.330729e+06 3.088362e+05 4.635173e+05 3.123429e+05 3.389783e+05 2.809377e+05 4.025197e+05 6.718700e+05 5.043535e+05 5.655308e+05 8.941658e+05 6.094556e+05 7.572371e+05 1.723331e+05 7.115500e+05 2.742543e+05 4.077149e+05 5.460941e+05 6.376522e+05 5.657900e+05 6.475513e+05 7.314467e+05 4.841948e+05 9.498409e+05 6.301852e+05 7.534561e+05 3.795062e+05 2.896553e+05 6.178398e+05 6.524119e+05 4.444876e+05 2.119259e+05 4.357568e+05 6.852425e+05 7.364951e+05 4.058507e+05 9.227784e+05 7.103747e+05 5.668873e+05 5.519878e+05 2.249551e+05 5.222022e+05 8.094441e+05 5.858350e+05 4.674279e+05 3.752786e+05 3.521735e+05 8.428171e+05 6.256264e+05 2.502229e+05 1.560742e+05 6.074501e+05 2.985655e+05 5.204556e+05 3.351123e+05 3.109811e+05 5.079144e+05 1.663798e+06 4.320946e+05 5.432127e+05 4.949308e+05 1.353423e+05 3.234411e+05 5.655782e+05 5.351636e+05 3.604681e+05 2.553410e+05 9.948757e+05 1.292646e+06 1.498172e+06 4.840783e+05 5.252846e+05 8.310396e+05 4.558487e+05 5.161180e+05 3.813582e+05 6.290843e+05 2.459780e+06 1.389609e+06 6.948261e+05 8.032540e+05 7.604858e+05 6.796315e+05 2.666807e+05 1.131967e+06 4.519190e+05 5.588662e+05 6.849540e+05 3.824288e+05 3.803764e+05 4.304329e+05 6.645443e+05 6.535817e+05 2.362659e+05 5.722111e+05 6.363760e+05 9.286156e+05 1.850642e+05 8.907191e+05 8.610858e+05 7.182672e+05 1.447744e+06 1.047402e+06 8.852612e+05 1.000671e+06 6.722977e+05 3.036176e+05 7.316191e+05 9.593673e+05 7.932183e+05 1.176972e+06 1.443996e+06 1.172258e+06 9.721130e+05 8.358769e+05 1.438973e+06 2.788736e+05 1.377222e+06 1.299858e+06 8.490192e+05 9.203405e+05 1.440440e+06 5.725163e+05 4.956241e+05 7.561737e+05 2.435168e+05 2.872336e+05 8.042974e+05 6.599453e+05 8.696767e+05 4.018947e+05 4.063162e+05 5.734990e+05 3.738736e+05 7.971300e+05 6.872218e+05 8.746026e+04 6.608182e+05 5.800326e+05 9.016640e+05 5.509625e+05 7.873797e+05 9.793980e+05 gamma-Heptalactone_1.845 2.341786e+05 2.913913e+05 2.917435e+05 3.095497e+05 5.698318e+04 1.287810e+05 3.411559e+05 3.108550e+05 111998.83 2.809193e+05 2.870423e+05 3.988733e+05 63075.53 2.350030e+05 2.958346e+05 3.217664e+05 4.785433e+04 2.602327e+05 2.682547e+05 2.689041e+05 1.113386e+05 3.850445e+05 2.951195e+05 4.206232e+05 79202.144 2.162876e+05 2.925666e+05 3.477160e+05 1.018458e+05 2.735517e+05 2.831401e+05 3.312904e+05 120196.88 1.746814e+05 4.038231e+05 2.168103e+05 1.555410e+05 3.166522e+05 3.347974e+05 3.614193e+05 5.746069e+04 3.479086e+05 2.484340e+05 2.163126e+05 6.560662e+04 3.600094e+05 2.699882e+05 3.355169e+05 2.326167e+05 5.366729e+05 4.021192e+05 1.960982e+05 3.653255e+05 3.138094e+05 3.612719e+05 2.552739e+05 2.789860e+05 3.934737e+05 2.735531e+05 3.649453e+05 5.862595e+05 4.019732e+05 5.601227e+05 2.247494e+05 3.167940e+05 1.264066e+05 2.632756e+05 3.845686e+05 6.668219e+05 3.293895e+05 4.899065e+05 4.289976e+05 4.407730e+05 5.613921e+05 2.115620e+05 2.234185e+05 3.542562e+05 1.840231e+05 3.378837e+06 1.013318e+05 1.016539e+05 2.001238e+05 1.651656e+05 3.033516e+05 2.048864e+05 1.724552e+05 1.975514e+05 1.564675e+05 2.324123e+05 1.663593e+05 2.854350e+05 2.333173e+05 2.599144e+05 2.718288e+05 2.572725e+05 2.343405e+05 1.550252e+05 9.675254e+04 1.927589e+05 3.166820e+05 1.738533e+05 3.081598e+05 9.110123e+04 2.233054e+05 2.910088e+05 4.788180e+05 1.207361e+05 3.275338e+05 1.911976e+05 1.610046e+05 1.229146e+05 4.621230e+05 1.633531e+05 1.153852e+05 1.538198e+05 1.101887e+05 1.776731e+05 9.709302e+04 1.436038e+05 3.760400e+05 1.055419e+05 9.813673e+04 1.515211e+05 1.276077e+05 1.084220e+05 9.401198e+04 2.760912e+05 1.190452e+05 2.274572e+05 1.511254e+05 2.317537e+05 2.594537e+05 1.413844e+05 2.116146e+05 3.034151e+05 2.648341e+05 2.786411e+05 3.059232e+05 2.091755e+05 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4.242262e+05 1.359999e+05 4.234109e+05 6.689067e+05 5.393511e+05 4.662108e+05 5.014569e+05 3.116532e+05 1.986531e+05 6.313608e+05 3.676633e+05 2.691477e+05 3.326202e+05 4.380058e+05 4.770957e+05 4.012824e+05 2.580116e+05 3.248294e+05 3.751125e+05 2.443094e+05 2.472360e+05 2.250968e+05 3.343983e+05 2.788823e+05 6.411193e+05 3.245122e+05 2.778759e+05 4.937847e+05 5.442730e+05 2.472906e+05 4.307020e+05 3.240736e+05 5.347984e+05 5.485046e+05 4.793854e+05 2.674734e+05 4.204266e+05 4.872836e+05 6.346881e+05 2.245135e+05 3.389108e+05 1.036794e+05 2.538634e+05 2.539566e+05 4.516219e+05 4.336968e+05 C43 H71 N5 O2 P2_1.845 4.459923e+04 5.522125e+05 4.844299e+05 5.467165e+05 6.547692e+04 2.756836e+05 5.027797e+05 4.828170e+05 51883.91 4.909157e+05 5.248931e+05 5.582891e+05 56271.29 3.827089e+05 3.916384e+05 6.762567e+05 4.279891e+04 4.200978e+05 4.026880e+05 5.712013e+05 1.104918e+05 3.269673e+05 4.852685e+05 5.240090e+05 73707.394 5.627035e+05 4.171103e+05 4.992505e+05 7.331219e+04 3.985580e+05 5.003019e+05 6.850343e+05 92112.78 3.003776e+05 4.803664e+05 5.298684e+05 1.008758e+05 3.623254e+05 6.465210e+05 5.543035e+05 7.526390e+04 2.095002e+05 5.186136e+05 5.525562e+05 3.803463e+04 4.095086e+05 5.494092e+05 4.442803e+05 5.180949e+05 9.640640e+04 1.039617e+05 1.330181e+05 9.719620e+04 1.089237e+05 9.894169e+04 1.310821e+05 1.035510e+05 1.254567e+05 1.300912e+05 1.145480e+05 1.540332e+05 1.119195e+05 1.015739e+05 1.335132e+05 1.421096e+05 1.231386e+05 9.874564e+04 1.111711e+05 1.062321e+05 1.106859e+05 1.307261e+05 1.239822e+05 1.031644e+05 1.349038e+05 8.835509e+04 9.296969e+04 1.198814e+05 9.468721e+04 7.705190e+04 1.178944e+05 9.560515e+04 7.885752e+05 1.006259e+05 1.045832e+05 8.280613e+04 1.211419e+05 1.278432e+05 6.948685e+04 9.099003e+04 8.832031e+04 9.577289e+04 1.135924e+05 1.031641e+05 8.652545e+04 1.106568e+05 9.503566e+04 1.343350e+05 1.225290e+05 9.274851e+04 1.043436e+05 8.980194e+04 1.142659e+05 8.335653e+04 1.253975e+05 1.264126e+05 9.695578e+04 1.047116e+05 1.627410e+06 7.760766e+04 1.028890e+05 1.016037e+05 1.098064e+05 1.200285e+05 1.146356e+05 9.866601e+04 1.198623e+05 9.856152e+04 1.155422e+05 1.117541e+05 1.031547e+05 1.325615e+05 1.186659e+05 9.784948e+04 1.061133e+05 1.047888e+05 1.179517e+05 1.012237e+05 1.048526e+05 8.761530e+04 8.613105e+04 1.086882e+05 1.055296e+05 1.034146e+05 9.007688e+04 8.603114e+04 1.004686e+05 1.122386e+05 1.012212e+05 1.035922e+05 7.859730e+04 1.096901e+05 1.228074e+05 1.070237e+05 7.232733e+04 8.534692e+04 1.069749e+05 1.146023e+05 9.772070e+04 1.397298e+05 1.311550e+05 9.676838e+04 9.579213e+04 9.525330e+04 1.284722e+05 8.582608e+04 8.241337e+04 1.293018e+05 9.131066e+04 1.087372e+05 9.903527e+04 1.147756e+05 9.562495e+04 7.809522e+04 8.347059e+04 1.157456e+05 9.740991e+04 1.080902e+05 9.531078e+04 9.630626e+04 1.058776e+05 9.755829e+04 1.148885e+05 1.031747e+05 9.184881e+04 1.083051e+05 8.903107e+04 1.023673e+05 1.444996e+05 9.564046e+04 9.574551e+04 1.995482e+05 1.050697e+05 8.599064e+04 1.593508e+05 1.752895e+05 1.137511e+05 1.774536e+05 2.951327e+06 1.497950e+05 1.397555e+05 1.080087e+05 1.049677e+06 1.124490e+05 2.080956e+05 2.438344e+05 1.060358e+05 1.555545e+05 1.431235e+05 9.918083e+04 1.270707e+05 1.418678e+05 1.448533e+05 1.245831e+05 1.381310e+05 1.123534e+05 1.003152e+05 9.441610e+04 8.728943e+07 1.018247e+05 1.758914e+05 2.003323e+06 1.197909e+05 7.617787e+04 1.060217e+05 1.020523e+05 1.427367e+05 1.591257e+05 1.627504e+05 1.302125e+05 1.083356e+05 2.110927e+05 9.559286e+04 2.667179e+05 9.964067e+05 2.746550e+05 2.745095e+05 9.197328e+05 1.447957e+06 8.589010e+05 1.594399e+05 5.096593e+06 1.564195e+05 1.254691e+05 1.087374e+05 1.539269e+05 1.309050e+05 1.080352e+06 7.101097e+05 1.135656e+05 8.366686e+04 1.037910e+05 1.774643e+05 5.925470e+05 1.158290e+05 1.069104e+05 8.908730e+04 9.904716e+04 9.024533e+04 1.055367e+05 1.138059e+05 1.090358e+05 1.065651e+05 9.076576e+04 8.234513e+04 1.839316e+05 7.636401e+04 8.052527e+04 1.250854e+05 9.308127e+04 1.386463e+05 9.473896e+04 1.236185e+05 C11 H18 N2 O2_1.845 8.498879e+06 1.821563e+06 1.766934e+06 1.611857e+06 7.078686e+04 1.211449e+06 1.891171e+06 2.485442e+06 55171.96 1.312322e+06 1.402359e+06 1.750686e+06 80609.72 1.964145e+06 1.321312e+06 1.820991e+06 8.757780e+04 1.685705e+06 1.835732e+06 1.456326e+06 1.375023e+05 1.500205e+06 2.110381e+06 2.116258e+06 98777.093 1.171551e+06 1.847744e+06 1.705324e+06 9.713558e+04 1.215343e+06 1.795008e+06 2.257272e+06 111898.66 1.544823e+06 1.687846e+06 1.904456e+06 1.193885e+05 1.336325e+06 1.242386e+06 2.335789e+06 8.029464e+04 1.433130e+06 1.726426e+06 2.154763e+06 4.600827e+04 1.271682e+06 1.741560e+06 1.664059e+06 1.208531e+06 1.063644e+06 2.354444e+06 9.322110e+05 1.383083e+06 1.450915e+06 1.764194e+06 1.699452e+06 3.559005e+06 2.532013e+06 3.122529e+06 2.056484e+06 2.485802e+06 3.137928e+06 2.835922e+06 1.339054e+06 6.164742e+05 1.596824e+06 2.606760e+06 1.152316e+06 2.470881e+06 1.573417e+06 1.144838e+06 2.193388e+06 2.136015e+06 1.738694e+06 2.391865e+06 9.845544e+05 1.159065e+06 2.426455e+06 3.353074e+05 1.111073e+06 1.361615e+06 4.558402e+06 9.895088e+05 2.120711e+06 5.213461e+05 8.551637e+05 1.868697e+06 6.700845e+05 3.015128e+06 1.666164e+06 1.745559e+06 9.081940e+05 1.742697e+06 1.186434e+06 1.505016e+06 1.564518e+06 1.814381e+06 2.142766e+06 1.032246e+06 1.286754e+06 1.434572e+06 1.836547e+06 1.189864e+06 1.568169e+06 1.141880e+06 1.388062e+06 1.398033e+06 2.328377e+06 1.087213e+06 3.272793e+05 1.446864e+06 1.950239e+06 1.686644e+06 1.272395e+06 1.400508e+06 9.381418e+05 1.159813e+06 1.778644e+06 1.194539e+06 1.979384e+06 2.063897e+06 1.532270e+06 1.409968e+06 1.667629e+06 1.090681e+06 1.976375e+06 1.786656e+06 1.976063e+06 2.584923e+06 2.227651e+06 2.513114e+06 1.331161e+06 1.160468e+06 2.543630e+06 2.323400e+06 1.937318e+06 1.376110e+06 1.887670e+06 2.982897e+06 1.814074e+06 2.588925e+06 2.794309e+06 2.330170e+06 1.510287e+06 1.207273e+06 1.409853e+06 9.238820e+05 1.129889e+06 1.104278e+06 1.411232e+06 1.179933e+06 2.082219e+06 1.843971e+06 2.328883e+06 1.031151e+06 1.155074e+06 1.490662e+06 1.018281e+06 1.082808e+06 1.718763e+06 1.313485e+06 1.939507e+06 1.596471e+06 1.123478e+06 1.203739e+06 5.262679e+06 8.318622e+05 1.388980e+06 8.666179e+05 1.058313e+06 1.416051e+06 1.051555e+06 1.746508e+06 1.278152e+06 1.369595e+06 9.448241e+05 1.079710e+06 1.502003e+06 2.520906e+06 1.806501e+06 1.611777e+06 6.865650e+05 3.938449e+06 2.561945e+06 2.385433e+06 5.058064e+06 3.362328e+06 7.384100e+05 1.853403e+06 8.547751e+05 2.101588e+06 1.574647e+06 8.822327e+05 2.266426e+06 7.024417e+05 1.327117e+06 3.278844e+06 1.792794e+06 1.149867e+06 1.373654e+06 4.198491e+06 1.779257e+06 1.343299e+06 1.790095e+06 2.027545e+06 8.972121e+05 1.570096e+06 7.058465e+05 2.039125e+06 6.219168e+05 2.685924e+06 1.179664e+06 1.569585e+06 8.466254e+05 1.803207e+06 1.794254e+06 1.412557e+06 9.332624e+05 1.278404e+06 1.997091e+06 8.065339e+05 7.946536e+05 1.736250e+06 8.214353e+05 1.778628e+06 8.374227e+05 3.817699e+06 1.331313e+06 1.472850e+06 1.032371e+06 4.626202e+06 1.164151e+06 1.704226e+06 1.174466e+06 1.836699e+06 4.624890e+05 1.849126e+06 8.214571e+05 2.043121e+06 1.162385e+06 4.087533e+06 2.149751e+06 1.664943e+06 2.018284e+06 1.975854e+06 1.409261e+06 2.140698e+06 9.245279e+05 2.357055e+06 1.353304e+06 2.487933e+06 1.346878e+06 1.058196e+06 3.432959e+06 1.748367e+06 2.119460e+06 9.805974e+05 1.225749e+06 2.901092e+06 7.803617e+05 1.825854e+06 9.459025e+05 C23 H49 N O10_1.846 4.367187e+04 3.855447e+06 2.852875e+06 3.540362e+06 6.339486e+04 1.862588e+06 3.373549e+06 3.507137e+06 48147.96 2.859952e+06 3.454704e+06 3.680356e+06 52462.44 2.694586e+06 2.931489e+06 3.252571e+06 4.163482e+04 3.037220e+06 3.104429e+06 3.486795e+06 1.077627e+05 2.400238e+06 3.540717e+06 3.061337e+06 74808.905 3.472365e+06 3.388789e+06 2.765995e+06 7.585692e+04 2.658704e+06 3.493386e+06 4.245170e+06 91353.19 1.785676e+06 3.280107e+06 3.314643e+06 9.144013e+04 3.111278e+06 3.757482e+06 3.403525e+06 6.908673e+04 1.941847e+06 4.086654e+06 4.002285e+06 3.801690e+04 9.251714e+05 3.663126e+06 3.382619e+06 2.230269e+06 2.680251e+06 1.264078e+06 1.438791e+06 8.944268e+05 2.632032e+06 1.092214e+06 1.128418e+06 1.078518e+06 1.664646e+06 1.625127e+06 3.504191e+06 2.062705e+06 1.329832e+06 2.002858e+06 2.162189e+06 1.698131e+06 2.414076e+06 3.509490e+06 1.427868e+06 1.465398e+06 1.694242e+06 2.507987e+06 1.977674e+06 1.654417e+06 2.503943e+06 2.745892e+06 3.201689e+06 3.196613e+06 3.252383e+06 1.050932e+06 2.440118e+06 3.265110e+06 3.102108e+06 2.706818e+06 3.483483e+06 1.697129e+06 2.889478e+06 2.083214e+06 1.374558e+06 2.716365e+06 2.575458e+06 3.357194e+06 2.639665e+06 3.497815e+06 2.149984e+06 4.171380e+06 2.661133e+06 3.137223e+06 2.993224e+06 2.323054e+06 2.255118e+06 2.002674e+06 3.596477e+06 2.171698e+06 2.454435e+06 2.509330e+06 3.080662e+06 2.034194e+06 3.013240e+06 1.821288e+06 2.571404e+06 2.560903e+06 4.187558e+06 2.966732e+06 4.195986e+06 3.873678e+06 2.680192e+06 4.153376e+06 3.542948e+06 2.935512e+06 3.637885e+06 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5.490141e+06 2.311112e+06 4.152518e+06 4.689632e+06 5.415632e+06 2.712602e+06 2.991828e+06 3.757486e+06 2.611812e+06 3.924364e+06 2.169237e+06 4.887913e+06 4.940296e+06 2.825081e+06 3.878586e+06 2.451725e+06 3.407236e+06 3.255994e+06 3.675198e+06 7.054949e+06 4.734331e+06 5.042102e+06 3.820916e+06 4.175827e+06 2.925895e+06 2.775470e+06 4.342964e+06 5.267793e+06 5.698898e+06 6.138674e+06 5.317394e+06 4.549706e+06 3.425681e+06 4.385297e+06 5.784374e+06 3.167706e+06 3.728351e+06 4.363010e+06 2.089051e+06 3.354506e+06 2.264877e+06 3.546232e+06 3.262464e+06 3.984306e+06 8.395480e+06 6.982333e+06 9.712825e+06 5.152667e+06 6.491571e+06 8.793358e+06 6.140834e+06 6.660091e+06 1.124624e+07 7.067873e+06 1.402961e+06 7.420739e+06 3.129939e+06 1.698761e+07 1.199689e+06 1.470804e+06 1.219089e+06 2.528726e+06 7.240766e+06 7.852656e+06 7.354870e+06 C11 H18 N2 O10 P2 S_1.847 1.280860e+05 5.680376e+05 9.402724e+05 9.884216e+05 1.488164e+05 5.760490e+05 1.246444e+06 9.132608e+05 63256.62 8.585255e+05 8.622373e+05 1.026201e+06 57778.36 9.351136e+05 8.666705e+05 9.496228e+05 4.217825e+04 7.155328e+05 8.324230e+05 8.723672e+05 1.010448e+05 9.662849e+05 1.100754e+06 1.051266e+06 73471.027 6.566719e+05 9.084879e+05 1.007378e+06 7.366938e+04 6.352163e+05 8.589528e+05 9.509821e+05 78313.68 9.981183e+05 8.683907e+05 7.513368e+05 6.942147e+04 1.065008e+06 9.492371e+05 7.816988e+05 5.511601e+04 1.002135e+06 7.526132e+05 1.085258e+06 3.822103e+04 8.966931e+05 1.110312e+06 5.582081e+05 1.688077e+05 6.251799e+05 3.872602e+05 1.638973e+05 9.989517e+05 9.904287e+05 6.540122e+05 4.867179e+05 3.422688e+05 6.015310e+05 1.080249e+06 6.405896e+05 3.168995e+05 3.150464e+05 7.779807e+05 9.246825e+05 9.043639e+05 1.401244e+05 4.391912e+05 8.558784e+05 9.079353e+05 7.118832e+05 3.496473e+05 1.497343e+06 1.811219e+06 1.589811e+06 1.181266e+06 1.318985e+06 6.181714e+05 1.432236e+06 7.674211e+04 6.728619e+05 1.426344e+06 6.926042e+05 4.358954e+05 7.365980e+05 2.415635e+05 4.539306e+05 8.083162e+05 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2.967288e+05 4.631968e+05 7.521388e+05 2.021644e+06 3.338154e+05 4.262007e+05 5.644635e+05 3.531643e+05 9.476322e+05 6.731020e+05 1.057530e+06 2.697906e+05 5.495190e+05 2.388960e+06 5.061515e+05 4.268296e+05 1.088062e+05 1.805173e+06 3.166591e+05 8.589265e+05 1.483771e+06 2.711505e+05 7.027867e+05 5.723212e+06 2.153804e+06 3.355983e+06 7.654040e+05 1.702980e+05 4.269990e+05 2.200890e+06 1.228012e+05 3.945128e+05 2.101020e+06 2.619936e+05 9.038490e+05 4.962669e+05 1.421699e+06 3.127025e+05 4.317592e+05 3.931193e+06 2.760559e+06 1.000559e+05 1.936192e+05 3.870960e+06 8.464419e+05 1.058162e+06 1.959985e+06 1.738772e+06 7.043092e+05 2.919963e+05 2.261341e+06 1.053461e+06 1.311647e+06 8.647010e+05 7.026804e+05 2.611973e+06 3.497253e+05 2.731331e+05 9.004674e+05 1.210724e+06 5.931374e+05 5.989956e+05 2.631772e+05 2.964731e+05 5.765126e+05 3.881193e+05 2.207110e+06 5.924927e+05 5.882802e+05 2.271323e+05 1.195238e+06 7.950946e+05 1.358763e+06 5.692572e+05 8.518730e+05 5.012579e+06 1.419823e+06 2.133594e+05 5.337266e+05 9.222725e+05 1.577288e+05 1.415291e+06 6.021346e+05 4.816577e+05 3.796189e+05 3.285611e+05 1.695537e+05 9.175245e+05 2.449161e+05 1.884915e+06 4.825402e+05 7.294928e+05 4.218886e+05 3.450939e+05 7.591284e+05 2.760186e+05 6.832735e+05 1.040742e+06 C20 H39 N5 O4_1.847 2.991042e+04 5.200274e+05 5.977867e+05 8.231478e+05 4.468298e+04 2.888325e+05 6.096876e+05 5.601393e+05 39952.58 7.852042e+05 4.430844e+05 6.735218e+05 49154.18 5.421074e+05 4.761024e+05 6.316828e+05 3.829141e+04 5.414395e+05 5.450029e+05 6.631670e+05 8.994214e+04 5.139094e+05 5.537575e+05 6.886923e+05 59948.166 6.209594e+05 4.967233e+05 5.427149e+05 6.142988e+04 5.570156e+05 6.253635e+05 6.896283e+05 79524.84 5.122807e+05 5.498520e+05 5.112487e+05 8.167768e+04 6.094591e+05 6.107052e+05 5.689833e+05 5.735354e+04 4.315161e+05 7.071033e+05 5.632587e+05 2.897298e+04 6.444817e+05 6.055542e+05 5.058290e+05 3.203414e+05 5.123437e+05 3.663795e+05 5.497566e+05 2.570815e+05 3.890716e+05 7.875161e+05 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3.208322e+05 3.882265e+05 5.770482e+05 4.334471e+05 4.536580e+05 5.751827e+05 5.486181e+05 4.952998e+05 2.525570e+05 8.495155e+05 9.407496e+05 1.289107e+05 2.353087e+05 3.658783e+05 3.126303e+05 3.406771e+05 5.964852e+05 8.338494e+05 7.018021e+05 7.213263e+05 6.362379e+05 4.752954e+05 5.127714e+05 3.369596e+05 4.805814e+05 8.982237e+05 7.394696e+05 2.034365e+05 4.459214e+05 4.632528e+05 2.552460e+05 1.869674e+05 7.819240e+05 4.209949e+05 3.387848e+05 3.926266e+05 4.766810e+05 4.503482e+05 5.995950e+05 2.375730e+05 3.913260e+05 4.469637e+05 5.558933e+05 7.397794e+05 4.746504e+05 5.085475e+05 8.590465e+05 7.296715e+05 1.990819e+06 4.679688e+05 4.230273e+05 1.993904e+06 4.705664e+05 4.475323e+05 4.557995e+05 2.171605e+05 2.118070e+06 4.629020e+05 2.181213e+06 6.487614e+05 1.475768e+05 4.850346e+05 2.221734e+06 2.612975e+05 1.907485e+06 2.281841e+06 4.083733e+05 1.770551e+06 1.831207e+06 2.102959e+06 4.511697e+05 4.062683e+05 5.496132e+05 4.186568e+05 6.284753e+05 2.620649e+05 1.035284e+06 5.493825e+05 1.411122e+05 6.110377e+05 5.145168e+05 5.071597e+05 2.640244e+05 7.131456e+05 1.981271e+06 7.475275e+05 9.865435e+05 5.052891e+05 6.072057e+05 6.284582e+05 1.303860e+05 5.236814e+05 5.033875e+05 8.988402e+05 4.363358e+05 2.459369e+05 5.737072e+05 2.134500e+05 4.070992e+05 6.176443e+05 6.031807e+05 3.366756e+05 5.185914e+05 5.440109e+05 7.575529e+05 3.436581e+05 3.220000e+05 3.600066e+05 2.050565e+06 4.930791e+05 6.830023e+05 9.217683e+05 5.744156e+05 3.507078e+05 5.546349e+05 6.273550e+05 8.430685e+05 9.808448e+05 6.209901e+05 5.378877e+05 4.447122e+05 3.764049e+05 1.150024e+06 3.462844e+05 3.740959e+05 1.780759e+05 3.832489e+05 5.019161e+05 6.114765e+05 5.374764e+05 C13 H29 N O7_1.847 5.030920e+04 1.046402e+06 9.052364e+05 1.029492e+06 7.266357e+04 7.949605e+05 9.252195e+05 1.227108e+06 54543.18 9.294873e+05 8.918421e+05 1.055741e+06 58264.51 9.043577e+05 8.432684e+05 9.800645e+05 6.855267e+04 1.032880e+06 1.086057e+06 9.987364e+05 1.119663e+05 7.369555e+05 9.923110e+05 1.267739e+06 80705.982 7.997281e+05 9.417776e+05 6.933542e+05 7.965973e+04 1.108853e+06 1.060148e+06 1.103370e+06 95793.55 8.278093e+05 9.889436e+05 9.003827e+05 1.025529e+05 1.105178e+06 9.621959e+05 9.784596e+05 7.655192e+04 7.783652e+05 8.888595e+05 1.177088e+06 3.899007e+04 9.400196e+05 1.015181e+06 9.079988e+05 1.584948e+05 6.624142e+05 1.084578e+05 7.599210e+05 2.002207e+05 6.522569e+05 3.124572e+05 2.898242e+05 1.306215e+06 4.071302e+05 3.086295e+05 6.904484e+05 5.165637e+05 2.118449e+05 2.097504e+05 6.324538e+05 1.457490e+05 2.180632e+06 4.533207e+05 1.139143e+05 5.396345e+05 2.906269e+05 2.970609e+05 1.883146e+05 1.546403e+05 2.817010e+05 1.844967e+06 1.062686e+06 2.043913e+06 2.320600e+06 1.041158e+06 3.536211e+06 1.378685e+06 8.876199e+05 1.197468e+06 2.181790e+06 7.971812e+05 3.196884e+06 1.943539e+06 5.002910e+05 1.900549e+06 1.162034e+06 1.381280e+06 3.908536e+06 5.977583e+05 2.134132e+05 2.303399e+05 5.255845e+05 6.276340e+05 1.242952e+05 9.208498e+04 9.542666e+05 2.683220e+05 4.466727e+05 1.040748e+05 4.261720e+05 2.813961e+05 3.379577e+05 2.476680e+05 2.795882e+05 4.785831e+05 2.376735e+05 8.338902e+05 4.219950e+05 4.440350e+05 1.619467e+05 3.309703e+05 1.844084e+05 3.417668e+05 4.280912e+05 3.403867e+05 6.972266e+05 1.344695e+05 1.047140e+05 1.541858e+05 2.697276e+05 1.064628e+05 2.458345e+05 6.749874e+05 1.484766e+05 3.321098e+05 4.467429e+05 7.776049e+05 6.095573e+05 5.245069e+05 7.676273e+05 4.455143e+05 4.544418e+05 7.266732e+05 6.871435e+05 8.214270e+05 8.368417e+05 1.828831e+05 1.004657e+06 8.798794e+05 5.230117e+05 5.800997e+05 4.347577e+05 1.000001e+06 2.404823e+05 4.082019e+05 1.054185e+06 7.922439e+05 1.213188e+06 8.284552e+05 5.168273e+05 1.148235e+06 2.869290e+05 3.856674e+05 6.583850e+05 4.768809e+05 3.174742e+05 2.278386e+05 4.444900e+05 5.170591e+05 6.990861e+05 1.606240e+06 1.119964e+06 4.582448e+05 1.028612e+06 6.610447e+05 1.127003e+06 1.924704e+06 6.099873e+05 7.608850e+05 8.495484e+05 1.042415e+06 1.199026e+06 2.273944e+05 1.916853e+05 2.906547e+05 3.526306e+05 1.081864e+06 2.130149e+06 6.038761e+05 3.197500e+06 4.261314e+05 7.133472e+05 1.300487e+06 3.831419e+05 1.439791e+06 1.899958e+06 3.569662e+06 1.185632e+06 7.489257e+05 3.396084e+05 2.541271e+06 6.186028e+05 2.000780e+06 4.656304e+06 1.865883e+06 3.987769e+06 1.493308e+06 3.815960e+06 7.597754e+05 2.504693e+06 2.913852e+06 8.750306e+05 1.562897e+06 4.446413e+05 2.818389e+06 1.944461e+06 4.461306e+05 6.272292e+05 1.774564e+06 2.233730e+06 2.473677e+05 2.006516e+06 7.332140e+06 9.014134e+05 1.257668e+06 1.242659e+06 1.939064e+06 1.597674e+06 3.320681e+05 8.732336e+05 6.942578e+05 1.300967e+06 7.604026e+05 6.875913e+05 8.653817e+05 5.797921e+05 3.738837e+05 1.726954e+06 1.364529e+06 2.841054e+05 8.262450e+05 8.241824e+05 2.174689e+06 7.646340e+05 7.835151e+05 8.633311e+05 1.409430e+07 8.232799e+05 7.088554e+05 1.060407e+06 1.022922e+06 9.518226e+05 3.134137e+05 4.287587e+05 8.247326e+05 9.691084e+05 1.715677e+06 7.877242e+05 5.343350e+05 8.753699e+05 1.556070e+06 9.138516e+05 1.213032e+06 8.149705e+05 7.746535e+05 3.334690e+05 6.686101e+05 9.912537e+05 C11 H22 N10_1.848 5.310674e+04 3.645130e+06 3.797903e+06 5.181464e+06 7.314521e+04 2.022218e+06 3.750437e+06 4.386645e+06 74434.82 3.479008e+06 3.516730e+06 3.979243e+06 93792.25 3.609175e+06 3.301122e+06 4.313636e+06 8.869150e+04 3.526582e+06 3.278747e+06 4.118352e+06 2.001017e+05 3.666537e+06 3.667079e+06 3.695144e+06 141331.910 3.998218e+06 3.395588e+06 3.665310e+06 1.354606e+05 3.671946e+06 4.119426e+06 4.274372e+06 164826.19 3.348429e+06 3.081142e+06 3.476303e+06 1.526914e+05 3.717682e+06 4.338391e+06 4.623134e+06 1.093414e+05 2.330775e+06 3.617495e+06 4.984384e+06 6.233508e+04 3.428514e+06 3.241366e+06 3.665572e+06 2.701020e+06 3.731125e+06 1.555984e+06 1.820154e+06 1.239131e+06 2.432460e+06 1.982734e+06 1.211605e+06 3.132355e+06 2.213711e+06 2.188391e+06 5.007418e+06 4.202669e+06 2.722823e+06 3.260702e+06 4.106728e+06 4.061853e+06 5.755569e+06 5.511153e+06 3.104885e+06 3.593363e+06 3.497974e+06 4.265517e+06 3.934727e+06 5.100432e+06 4.712660e+06 5.197460e+06 3.963443e+06 5.645054e+06 5.391325e+06 2.171251e+06 5.841372e+06 3.355115e+06 3.960218e+06 4.039917e+06 5.200838e+06 3.569801e+06 5.920986e+06 4.132165e+06 1.819594e+06 4.742281e+06 4.099750e+06 5.971301e+06 4.855860e+06 3.823309e+06 3.693897e+06 4.570296e+06 3.550439e+06 6.951038e+06 1.909100e+06 3.703087e+06 3.399420e+06 3.472475e+06 5.435986e+06 1.507018e+06 3.861107e+06 5.669965e+06 4.294267e+06 3.834496e+06 5.438539e+06 2.428127e+06 1.427831e+06 3.348168e+06 7.485527e+06 4.868253e+06 2.933826e+06 2.442223e+06 2.098569e+06 2.459751e+06 1.864318e+06 1.857875e+06 5.309960e+06 1.613140e+06 1.422285e+06 1.988168e+06 3.098540e+06 3.034249e+06 1.850757e+06 5.274553e+06 1.753637e+06 1.990880e+06 2.194745e+06 3.775847e+06 1.865704e+06 4.430158e+06 3.449505e+06 3.907251e+06 3.011410e+06 4.703755e+06 4.644225e+06 4.259861e+06 4.691022e+06 1.092332e+06 6.691546e+06 5.761569e+06 1.262733e+06 1.452244e+06 2.164439e+06 4.033226e+06 3.611494e+06 4.311083e+06 7.563325e+06 5.432754e+06 8.872604e+06 5.253439e+06 2.745701e+06 3.770919e+06 1.963091e+06 6.313303e+06 5.880926e+06 8.542650e+06 2.100719e+06 4.715841e+06 3.497355e+06 1.791249e+06 1.487818e+06 4.637461e+06 2.418510e+06 1.525207e+06 2.019086e+06 2.807122e+06 2.179550e+06 3.136475e+06 1.739013e+06 3.425875e+06 2.344976e+06 5.401728e+06 4.009720e+06 3.488061e+06 3.628845e+06 5.686303e+06 4.480979e+06 7.633576e+06 2.484596e+06 2.130763e+06 8.387349e+06 2.075275e+06 2.124529e+06 3.004220e+06 1.899468e+06 8.141805e+06 2.179506e+06 1.470674e+07 3.043798e+06 1.282058e+06 2.940817e+06 1.441145e+07 1.275906e+06 1.177515e+07 1.247045e+07 1.895424e+06 1.268652e+07 1.270786e+07 1.171021e+07 2.539859e+06 2.397028e+06 2.508201e+06 2.089755e+06 4.282005e+06 1.279332e+06 6.441039e+06 3.456838e+06 1.641750e+06 3.427745e+06 2.509359e+06 4.342682e+06 1.485677e+06 4.286120e+06 1.669892e+07 4.373830e+06 4.860141e+06 2.468598e+06 3.992373e+06 2.666277e+06 1.060313e+06 2.621728e+06 3.076785e+06 3.959476e+06 3.233303e+06 2.784484e+06 2.557190e+06 1.707733e+06 2.821552e+06 5.951095e+06 3.689896e+06 2.323835e+06 3.877279e+06 2.996008e+06 4.464298e+06 2.245420e+06 2.362875e+06 1.548807e+06 8.436495e+06 3.601407e+06 4.313379e+06 5.503902e+06 3.719463e+06 4.820008e+06 6.221670e+06 4.498030e+06 4.237595e+06 7.969044e+06 4.562615e+06 2.535058e+06 2.987331e+06 2.192115e+06 6.006848e+06 1.237970e+06 1.275448e+06 2.321321e+06 1.938702e+06 3.028102e+06 6.265628e+06 5.222014e+06 C9 H30 N9 O P_1.851 3.311014e+04 1.011682e+06 1.304741e+06 1.548827e+06 4.904118e+04 4.217342e+05 1.127570e+06 1.249727e+06 40901.27 1.062950e+06 1.224477e+06 1.128308e+06 47987.00 1.174210e+06 1.010571e+06 9.710442e+05 4.938237e+04 1.057951e+06 1.121534e+06 1.231217e+06 9.873573e+04 9.316281e+05 1.180918e+06 1.257639e+06 66581.303 1.194239e+06 9.266451e+05 1.067336e+06 6.758092e+04 1.065740e+06 1.236612e+06 1.398715e+06 85853.84 7.061691e+05 1.155370e+06 1.204887e+06 8.492385e+04 1.036123e+06 1.208962e+06 9.576747e+05 6.680681e+04 1.039397e+06 1.172286e+06 1.163701e+06 3.577446e+04 1.101575e+06 1.217300e+06 1.004919e+06 4.352681e+05 8.913147e+05 5.420785e+05 8.449892e+05 4.976656e+05 9.422381e+05 7.261496e+05 2.720906e+05 1.036227e+06 8.253487e+05 7.813719e+05 1.022951e+06 1.244740e+06 6.082498e+05 1.058413e+06 1.332095e+06 1.088099e+06 2.040090e+06 1.807500e+06 8.050382e+05 1.084044e+06 8.657373e+05 1.314650e+06 1.114962e+06 1.095922e+06 1.313429e+06 1.409810e+06 1.223021e+06 1.710645e+06 1.715418e+06 6.758633e+05 1.803592e+06 9.877097e+05 1.205995e+06 1.224058e+06 1.482265e+06 7.666317e+05 1.650283e+06 8.593755e+05 6.977206e+05 1.365920e+06 1.088083e+06 1.550771e+06 1.724974e+06 8.719825e+05 1.118210e+06 1.835478e+06 1.335406e+06 1.924187e+06 5.726399e+05 1.060370e+06 9.760549e+05 1.044545e+06 1.556423e+06 4.957670e+05 1.275645e+06 1.343180e+06 1.504029e+06 8.244388e+05 1.387785e+06 6.546458e+05 4.837798e+05 1.074382e+06 1.741322e+06 1.527349e+06 6.415204e+05 9.416951e+05 5.992589e+05 6.841815e+05 8.018730e+05 6.858946e+05 1.376377e+06 2.592222e+05 5.579351e+05 4.158486e+05 8.524152e+05 8.578068e+05 7.035678e+05 1.486802e+06 7.314186e+05 7.026053e+05 7.614054e+05 1.053242e+06 8.035198e+05 1.055621e+06 9.589567e+05 1.002543e+06 1.080851e+06 1.287157e+06 1.284129e+06 1.063259e+06 1.464972e+06 3.884237e+05 2.074829e+06 2.135957e+06 3.983739e+05 6.317345e+05 8.029955e+05 1.122635e+06 9.658606e+05 1.217443e+06 1.164024e+06 1.185035e+06 1.375996e+06 1.289746e+06 5.585029e+05 1.112973e+06 5.807820e+05 1.590578e+06 1.344442e+06 1.624675e+06 7.302881e+05 1.055928e+06 7.549786e+05 6.389340e+05 4.931261e+05 1.107761e+06 7.622635e+05 4.573136e+05 6.977597e+05 6.156107e+05 6.212972e+05 1.003903e+06 4.004279e+05 7.829294e+05 7.374174e+05 1.483970e+06 1.066715e+06 9.055165e+05 8.655729e+05 9.663420e+05 1.387262e+06 2.192443e+06 7.837834e+05 7.597311e+05 2.556855e+06 6.733250e+05 6.615269e+05 7.656315e+05 4.640074e+05 2.496864e+06 9.447168e+05 3.066062e+06 9.487244e+05 4.215842e+05 7.337096e+05 2.212970e+06 4.444319e+05 2.656504e+06 3.725061e+06 7.443011e+05 2.941882e+06 2.773737e+06 3.157979e+06 7.137347e+05 8.902347e+05 1.046318e+06 8.215431e+05 1.256616e+06 3.520368e+05 1.535286e+06 9.698444e+05 4.706320e+05 1.063767e+06 8.764544e+05 1.198657e+06 4.996472e+05 1.399791e+06 2.630663e+06 9.679381e+05 1.510740e+06 7.347989e+05 1.044039e+06 9.504508e+05 2.931869e+05 9.255082e+05 1.097724e+06 1.327185e+06 8.947236e+05 9.410532e+05 8.708688e+05 6.797415e+05 7.581306e+05 1.517015e+06 1.252180e+06 8.290887e+05 1.071667e+06 8.634740e+05 1.371875e+06 7.982496e+05 9.176336e+05 5.661771e+05 2.186962e+06 1.211844e+06 1.252921e+06 1.328330e+06 9.571349e+05 1.198897e+06 9.421359e+05 9.530013e+05 1.250721e+06 2.236316e+06 1.235101e+06 7.004011e+05 8.977962e+05 7.378254e+05 2.254914e+06 4.364806e+05 5.863202e+05 7.517601e+05 8.376237e+05 1.078709e+06 1.174597e+06 1.236297e+06 C13 H20 O4_1.851 4.807465e+04 2.633185e+05 3.787057e+05 4.288161e+05 6.982728e+04 1.564300e+05 3.936431e+05 3.607966e+05 55236.06 3.346744e+05 3.904387e+05 5.382721e+05 62785.60 3.070054e+05 2.765400e+05 3.196019e+05 9.336309e+04 3.447757e+05 4.135062e+05 4.075639e+05 1.311136e+05 2.654346e+05 4.260885e+05 4.018686e+05 89491.689 3.629585e+05 3.907066e+05 2.791972e+05 9.864598e+04 3.707761e+05 4.258807e+05 4.568588e+05 120005.74 2.345754e+05 3.141297e+05 4.561181e+05 1.103227e+05 3.382860e+05 3.505888e+05 3.272673e+05 9.352653e+04 3.953481e+05 4.318310e+05 4.524454e+05 4.447573e+04 1.850929e+05 5.062941e+05 2.822671e+05 1.782176e+05 3.175400e+05 1.351864e+05 1.813447e+05 1.330975e+05 3.916120e+05 3.693472e+05 4.566396e+05 2.398813e+05 2.091771e+05 1.895571e+05 2.381009e+05 5.454476e+05 2.093565e+05 2.139724e+05 3.401075e+05 2.619072e+05 1.521404e+05 1.184668e+05 3.531914e+05 2.509608e+05 3.584460e+05 4.214191e+05 3.680669e+05 5.827731e+05 3.194125e+05 2.472160e+05 1.451875e+05 1.901502e+05 2.886996e+05 2.434596e+06 2.328632e+05 2.293374e+05 3.605767e+05 1.119932e+05 2.125942e+05 1.763725e+05 1.215639e+05 1.564931e+05 8.087166e+04 2.839219e+05 1.409908e+05 2.895207e+05 2.152832e+05 2.791627e+05 3.244321e+05 3.945370e+05 4.468134e+05 4.553117e+05 1.262234e+05 3.803656e+05 4.373553e+05 2.757200e+05 3.200283e+05 1.019451e+05 2.106201e+05 3.541833e+05 5.581623e+05 1.469135e+05 3.096489e+05 1.544131e+05 1.345209e+05 1.327295e+05 2.754665e+05 4.707392e+05 1.300783e+05 3.318917e+05 1.874323e+05 2.044757e+05 1.270748e+05 1.463700e+05 1.764035e+05 1.368744e+05 1.941803e+05 1.020461e+05 3.809794e+05 2.308259e+05 1.715184e+05 3.252883e+05 1.897837e+05 1.539503e+05 2.031321e+05 2.886733e+05 1.697227e+05 1.462636e+05 3.130471e+05 2.609905e+05 2.228003e+05 3.142226e+05 3.747320e+05 2.740186e+05 2.578081e+05 2.898530e+05 7.156015e+05 3.552662e+05 3.657631e+05 5.161199e+05 5.454112e+05 6.946704e+05 6.420903e+05 2.339349e+06 7.987761e+05 4.899754e+05 5.250041e+05 2.401106e+05 2.725080e+05 2.754372e+05 3.746065e+05 6.095220e+05 2.053578e+05 3.256986e+05 2.230088e+05 3.010294e+05 3.992610e+05 2.375187e+05 2.133858e+05 3.684273e+05 3.530440e+05 1.192402e+05 5.163522e+05 1.687528e+05 1.441016e+05 2.793787e+05 1.337756e+05 3.869471e+05 3.595162e+05 5.928212e+05 4.254104e+05 4.122623e+05 1.983031e+05 2.086440e+05 3.726768e+05 9.567816e+05 2.742021e+05 2.792474e+05 4.245603e+05 8.307964e+05 4.794966e+05 3.525980e+05 3.397896e+05 5.038502e+05 1.437206e+05 3.505990e+05 5.155195e+05 1.384266e+05 4.928909e+05 1.282147e+06 2.442741e+05 6.044051e+05 7.525786e+05 1.465143e+05 5.172958e+05 2.236782e+05 5.966578e+05 1.770688e+05 4.746056e+05 3.196923e+05 1.774518e+05 2.127909e+05 9.554304e+04 3.082764e+05 1.921308e+05 1.261975e+05 2.578956e+05 2.255576e+05 3.416542e+05 9.639667e+05 3.959763e+05 6.234325e+05 2.713983e+05 3.553196e+05 4.923298e+05 3.407889e+05 2.886666e+05 1.266875e+05 6.040450e+05 3.703339e+05 4.006777e+05 2.940479e+05 5.158745e+05 5.312721e+05 4.720119e+05 3.219395e+05 5.142315e+05 3.048475e+05 3.430282e+05 1.943436e+05 1.483818e+05 2.796910e+05 1.673887e+05 2.068445e+05 2.170454e+05 5.604735e+05 2.261749e+05 1.971105e+05 4.105058e+05 1.237559e+05 1.324731e+05 3.455682e+05 1.487056e+05 2.195199e+05 1.904170e+05 3.109307e+05 2.686804e+05 1.734791e+05 2.902395e+05 5.623293e+05 3.875300e+05 3.225938e+05 2.705876e+05 5.519453e+05 7.130602e+05 3.436532e+05 1.774879e+05 C41 H81 N O3 S2_1.852 4.074204e+06 2.069293e+06 2.476270e+06 2.203569e+06 5.228565e+04 1.392706e+06 1.933805e+06 2.039568e+06 42558.46 2.210044e+06 2.160162e+06 2.107612e+06 43338.60 1.934741e+06 1.797626e+06 2.449954e+06 3.544708e+04 2.222722e+06 1.863993e+06 2.080448e+06 1.046042e+05 2.043763e+06 2.448557e+06 3.542956e+05 79377.473 2.973869e+06 1.899424e+06 2.216845e+06 6.499817e+04 2.223866e+06 2.093460e+06 2.241297e+06 72264.70 1.749476e+06 2.018907e+06 2.395589e+06 6.874043e+04 1.927426e+06 2.295574e+06 1.744916e+06 5.735783e+04 1.773523e+06 1.905361e+06 2.402843e+06 3.155909e+04 1.861799e+06 2.942596e+06 1.356611e+06 1.822091e+06 1.878662e+06 2.215909e+06 2.244702e+06 1.907449e+06 1.851397e+06 1.924814e+06 8.939125e+05 2.306437e+06 2.488088e+06 2.245326e+06 2.165787e+06 2.187109e+06 2.687512e+06 2.042756e+06 4.112729e+06 1.356615e+06 2.275449e+06 1.989238e+06 1.747003e+06 1.931296e+06 2.404438e+06 2.290035e+06 2.400459e+06 4.885137e+06 1.840630e+06 1.899265e+06 1.847332e+06 2.103136e+06 2.500436e+06 1.485645e+06 1.501412e+06 1.914658e+06 1.829186e+06 2.246667e+06 1.474297e+06 1.895034e+06 2.185136e+06 1.915967e+06 1.635491e+06 1.956657e+06 1.419122e+06 1.602322e+06 1.458116e+06 1.749753e+06 2.596992e+06 1.364991e+06 1.087275e+06 2.148688e+06 1.776372e+06 2.615956e+06 1.437017e+06 1.822991e+06 1.879125e+06 1.984448e+06 1.398141e+06 1.492657e+06 2.020016e+06 1.650610e+06 2.145807e+06 4.009611e+06 2.140877e+06 2.656066e+06 1.934602e+06 1.196620e+06 1.803142e+06 1.736086e+06 2.885244e+06 1.386028e+06 2.166900e+06 2.312399e+06 2.003561e+06 1.273661e+06 1.263231e+06 1.471190e+06 1.826604e+06 2.054269e+06 2.481503e+06 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1.751596e+06 3.561901e+06 1.693903e+06 2.258878e+06 2.842222e+06 1.426974e+06 1.619123e+06 1.922338e+06 1.960511e+06 2.387142e+06 1.980166e+06 3.828551e+06 1.580018e+06 2.121543e+06 1.887349e+06 1.743734e+06 1.172393e+06 1.052554e+06 1.897716e+06 2.372082e+06 1.641187e+06 1.330145e+06 1.439076e+06 2.009291e+06 1.463461e+06 1.958383e+06 2.110810e+06 1.739388e+06 2.207050e+06 2.444725e+06 1.938290e+06 1.862186e+06 1.618375e+06 2.578900e+06 1.938274e+06 5.845488e+06 3.541449e+06 1.489847e+06 2.597047e+06 3.217594e+06 2.176943e+06 1.986812e+06 3.325788e+06 2.016619e+06 1.868047e+06 2.052028e+06 1.472270e+06 3.096321e+06 1.327121e+06 2.666935e+06 3.555677e+06 2.100937e+06 9.362121e+05 2.164626e+06 3.919887e+06 1.855661e+06 4.634220e+06 1.891997e+06 2.112761e+06 C20 H43 N O10_1.854 3.172224e+04 1.908917e+05 2.358372e+05 1.543752e+05 4.855540e+04 1.670550e+05 1.722310e+05 1.917244e+05 47897.57 2.126493e+05 1.317489e+05 2.601651e+05 56426.85 1.938384e+05 2.297854e+05 1.185588e+05 4.924304e+04 1.687966e+05 2.565909e+05 1.816646e+05 1.292508e+05 1.220804e+05 1.857033e+05 1.839992e+05 79727.209 2.528600e+05 2.553864e+05 1.035964e+05 9.094197e+04 2.358333e+05 1.306579e+05 1.847377e+05 116467.78 1.306993e+05 2.226232e+05 2.421999e+05 1.055229e+05 1.367582e+05 2.459698e+05 1.531405e+05 7.389633e+04 2.765132e+05 1.546359e+05 2.087478e+05 2.896328e+04 1.656840e+05 2.166353e+05 7.032576e+04 1.067302e+05 8.739218e+04 8.992271e+04 1.069536e+05 1.197614e+05 1.857359e+05 1.902029e+05 9.872973e+04 1.965170e+05 1.453586e+05 1.631047e+05 9.664613e+04 2.758862e+05 1.223321e+05 1.881655e+05 1.250160e+05 1.488684e+05 6.790088e+05 1.975249e+05 1.453223e+05 1.523766e+05 1.527710e+05 1.539000e+05 1.442647e+05 9.602893e+04 2.225030e+05 6.812748e+05 1.937715e+05 6.349289e+05 6.925458e+05 1.222645e+06 1.065887e+06 2.802862e+05 1.326236e+05 2.490396e+05 3.233163e+05 2.681822e+05 7.490285e+05 3.252876e+05 7.216638e+04 6.342114e+05 4.924346e+05 2.840456e+05 8.152074e+05 9.217099e+04 1.066391e+05 8.456754e+04 8.323643e+04 2.235152e+05 1.077227e+05 1.086556e+05 9.136129e+04 9.641944e+04 1.288385e+05 9.435676e+04 1.586556e+05 1.440064e+05 1.839310e+05 1.352684e+05 1.347382e+05 1.013649e+05 1.230090e+05 2.334149e+05 1.238142e+05 1.820212e+05 2.058335e+05 8.097118e+04 1.074924e+05 9.363827e+04 1.653748e+05 1.283448e+05 1.160363e+05 1.186120e+05 1.213267e+05 7.908981e+04 2.185564e+05 9.107008e+04 1.159839e+05 1.841619e+05 1.469368e+05 1.128455e+05 1.101473e+05 1.347924e+05 7.263046e+05 7.254680e+04 1.130254e+05 1.339110e+05 1.178721e+05 6.355909e+04 1.804795e+05 1.114751e+05 1.021211e+05 1.330127e+05 1.328449e+05 1.676048e+05 6.999810e+04 6.898325e+04 1.570568e+05 2.190481e+05 1.275258e+05 2.323694e+05 1.519325e+05 9.231579e+04 3.411789e+05 1.719303e+05 1.486615e+05 1.897357e+05 6.597154e+04 2.618810e+05 1.839710e+05 2.360330e+05 1.488767e+05 1.433650e+05 1.424088e+05 7.352994e+04 1.338803e+05 5.285192e+05 2.224225e+05 9.713671e+04 2.365407e+05 1.550407e+05 1.091334e+05 5.145516e+05 9.931560e+04 2.041156e+05 9.880262e+04 8.649053e+04 2.502252e+05 1.827855e+05 1.765905e+05 1.653977e+05 1.225295e+05 2.738330e+05 3.873941e+05 1.225665e+05 9.401098e+05 1.286995e+05 1.253410e+05 1.105266e+05 9.423754e+04 3.938750e+05 1.962667e+05 1.632796e+06 2.751771e+05 1.327605e+05 2.213431e+05 8.848667e+05 8.916018e+04 3.515616e+05 1.990314e+06 4.788073e+05 1.467570e+06 5.129167e+05 1.552369e+06 1.349638e+05 4.079049e+05 3.573991e+05 1.551992e+05 1.964485e+05 7.136887e+04 8.800517e+05 2.090689e+05 1.487911e+05 1.128788e+05 5.290651e+05 5.092512e+05 8.424949e+04 5.097774e+05 1.695152e+06 1.189434e+05 1.186915e+05 1.638543e+05 2.969742e+05 2.272848e+05 1.019572e+05 9.197805e+04 1.596347e+05 1.864348e+05 2.898908e+05 1.005806e+05 1.160020e+05 8.693798e+04 2.048610e+05 2.436872e+05 3.437673e+05 1.213792e+05 1.328983e+05 2.280450e+05 4.213399e+05 1.663823e+05 2.172961e+05 7.107238e+04 6.927493e+06 1.056810e+05 1.356955e+05 2.252062e+05 4.055890e+05 2.246769e+05 2.096554e+05 1.153474e+05 4.234603e+05 1.989537e+05 4.068039e+05 1.349130e+05 8.047469e+04 8.724850e+04 4.534712e+05 3.180888e+05 5.662034e+05 1.350808e+05 1.677777e+05 1.346816e+05 1.169403e+05 1.172521e+05 C9 H17 N O2_1.855 1.910351e+05 7.675679e+05 1.198488e+05 1.753183e+06 8.788752e+04 9.531613e+05 1.232497e+06 1.284000e+05 70771.87 1.232132e+06 1.223643e+06 1.604653e+06 51420.39 1.057998e+06 1.229601e+06 1.360057e+06 8.002214e+05 1.161931e+06 1.405001e+06 2.210284e+05 1.526459e+05 1.259174e+06 1.062413e+05 1.747960e+06 92060.341 8.624478e+04 1.174489e+06 1.237830e+06 8.720428e+04 8.115916e+04 1.168106e+06 1.408249e+06 118434.25 8.343660e+05 1.385445e+06 1.295745e+06 1.110879e+05 1.105350e+06 1.917675e+06 1.646387e+06 1.105546e+05 1.783662e+05 2.810132e+05 1.994156e+06 3.675250e+05 1.157292e+06 1.029325e+05 1.263492e+06 1.429316e+05 7.379128e+04 2.951917e+05 4.000948e+05 1.299437e+05 1.207229e+05 9.441659e+04 1.342260e+05 1.010241e+05 1.299819e+05 1.272291e+05 2.259631e+05 1.246769e+05 1.482149e+05 1.013854e+05 1.425456e+05 1.617044e+05 1.603884e+05 1.073275e+05 1.345972e+05 1.105784e+05 9.151035e+04 1.085254e+05 1.158775e+05 1.055469e+05 1.412732e+05 8.467290e+04 9.133416e+04 1.243112e+05 1.095547e+05 1.292528e+05 1.379500e+05 1.616844e+05 8.200205e+04 1.491133e+05 7.929040e+04 1.225169e+05 1.550931e+05 1.376853e+05 5.986640e+04 1.244743e+05 9.934674e+04 1.077934e+05 7.824486e+04 1.133019e+05 7.921415e+05 1.385934e+05 8.614709e+04 1.596316e+05 1.712263e+05 9.697190e+04 7.797896e+04 7.765866e+04 9.850089e+04 7.806240e+04 1.151062e+05 1.449761e+05 2.014422e+05 1.090932e+05 1.485506e+05 4.206572e+05 9.534744e+04 1.043948e+05 1.116707e+05 9.561823e+04 2.645967e+05 1.878473e+05 1.019606e+05 1.016174e+05 1.280865e+05 1.109666e+05 1.121681e+05 2.369710e+05 4.562383e+05 1.324602e+05 1.043939e+05 1.446795e+05 1.293075e+05 1.072260e+05 1.047597e+05 7.469190e+04 9.036742e+04 1.278413e+05 3.361409e+08 1.263959e+05 9.483122e+04 8.390980e+04 1.461298e+05 9.854071e+04 1.251403e+05 1.061701e+05 9.751226e+04 1.667758e+05 1.065839e+05 1.077651e+05 1.040167e+05 1.125162e+05 9.110932e+04 1.673470e+05 1.145604e+05 8.846525e+04 1.247185e+05 8.218957e+04 1.500770e+05 1.330649e+05 1.008330e+05 1.068203e+05 9.731640e+04 1.862969e+05 9.780632e+04 1.612608e+05 6.182716e+04 1.046679e+05 1.115395e+05 8.545377e+04 1.061753e+05 1.120191e+05 6.770767e+04 1.145742e+05 1.899889e+05 1.585590e+05 1.186721e+05 1.149888e+05 1.108917e+05 1.765759e+05 1.126329e+05 1.089445e+05 7.215507e+04 9.974504e+04 1.337184e+05 1.012162e+05 9.398333e+04 1.812194e+05 1.282042e+05 1.157997e+05 1.074859e+05 1.971546e+05 1.511196e+05 1.098834e+05 1.161625e+05 1.252698e+05 1.638613e+05 1.298526e+05 9.380608e+04 1.252559e+05 1.583730e+05 1.731661e+05 6.283782e+05 4.084128e+05 1.269900e+05 8.914188e+04 1.153439e+05 9.606623e+04 1.513647e+05 1.326073e+05 8.802765e+04 1.197878e+05 7.528130e+04 1.338100e+05 1.074476e+05 1.251422e+05 1.588248e+05 1.145907e+05 1.098434e+05 7.508403e+04 1.111958e+05 1.028933e+05 3.965054e+05 1.921509e+05 1.754152e+05 9.366983e+04 6.853294e+05 2.623362e+06 1.288836e+05 9.200153e+04 1.960395e+05 1.185339e+05 9.641766e+04 2.640239e+05 2.431603e+05 1.176784e+05 1.482100e+05 1.158952e+05 1.674343e+05 1.274837e+05 1.069831e+05 1.346340e+05 1.301036e+05 1.266229e+05 1.330356e+05 3.751099e+05 9.584351e+04 1.148570e+05 1.041124e+05 1.157156e+05 1.006380e+05 9.113553e+04 1.163173e+05 1.177066e+05 1.021927e+05 1.072138e+05 9.594551e+04 4.235104e+05 1.289939e+05 2.548081e+05 8.133212e+04 1.667764e+05 1.496803e+06 1.739249e+05 1.330983e+05 8.400062e+04 1.530124e+05 1.338406e+05 1.104857e+05 C8 H12 O4_1.855 4.700803e+04 6.854129e+05 6.810294e+05 5.995558e+05 5.662551e+04 4.048661e+05 5.438516e+05 7.208710e+05 43134.86 6.539189e+05 5.871955e+05 6.711110e+05 48585.70 5.991544e+05 5.686965e+05 6.914134e+05 1.579450e+05 5.068640e+05 5.582829e+05 6.745681e+05 1.083428e+05 4.917082e+05 6.325386e+05 7.912201e+05 76289.662 5.760018e+05 5.426151e+05 6.571848e+05 8.600897e+04 4.968340e+05 6.982001e+05 6.812649e+05 104190.09 4.314586e+05 5.805842e+05 6.651435e+05 9.228892e+04 6.195039e+05 6.620516e+05 6.551392e+05 6.920464e+04 4.785881e+05 5.874978e+05 7.936671e+05 3.932436e+04 4.678065e+05 7.600728e+05 4.754901e+05 1.633043e+05 2.930095e+05 2.110681e+05 3.473585e+05 2.640612e+05 8.056336e+05 3.165188e+05 1.881676e+05 3.902068e+05 3.923674e+05 5.138919e+05 5.256736e+05 7.289514e+05 4.505977e+05 4.967591e+05 5.308301e+05 4.399309e+05 2.063138e+05 4.067674e+05 4.956435e+05 4.649646e+05 5.024747e+05 6.625153e+05 6.270451e+05 8.780211e+05 8.012981e+05 3.871126e+05 3.716567e+05 3.526679e+05 3.534610e+05 1.274331e+07 1.774141e+05 3.694762e+05 3.669126e+05 1.903602e+05 2.520095e+05 2.947451e+05 2.870508e+05 2.326613e+05 1.648525e+05 3.037998e+05 3.772049e+05 4.609282e+05 3.503305e+05 4.769475e+05 4.117609e+05 5.711992e+05 4.260476e+05 5.347477e+05 1.036489e+05 6.361107e+05 4.803579e+05 2.618054e+05 4.834875e+05 7.745328e+04 4.648901e+05 3.852887e+05 6.069932e+05 3.823589e+05 6.479858e+05 2.565803e+05 9.143043e+04 1.112742e+05 6.101682e+05 6.136622e+05 9.987362e+04 1.658651e+05 1.064853e+05 1.959370e+05 1.068619e+05 1.144509e+05 4.131506e+05 1.189748e+05 8.701930e+04 9.139077e+04 1.627122e+05 2.344056e+05 9.119903e+04 1.692488e+05 2.218054e+05 1.383298e+05 1.571308e+05 3.956231e+05 1.284832e+06 4.011949e+05 3.672563e+05 3.110471e+05 2.881694e+05 7.519863e+05 5.348587e+05 4.124830e+05 4.527619e+05 7.383665e+05 9.191646e+05 5.416292e+05 7.691663e+05 1.084746e+06 1.397987e+06 1.248793e+06 1.484010e+06 2.072295e+06 1.866873e+06 1.353048e+06 7.678867e+05 5.434443e+05 2.476517e+05 3.017669e+05 3.369784e+05 4.708825e+05 5.288678e+05 6.356092e+05 2.947724e+05 3.945084e+05 3.332051e+05 2.961157e+05 5.869274e+05 8.627847e+05 6.057095e+05 3.028484e+05 5.762711e+05 4.005229e+05 4.954389e+05 7.031380e+05 2.598793e+05 6.236810e+05 6.292192e+05 1.122447e+06 7.961833e+05 6.358150e+05 6.213495e+05 5.276483e+05 6.966939e+05 2.024540e+06 4.173580e+05 4.066400e+05 1.607317e+06 1.071126e+06 3.878242e+05 4.314278e+05 4.186061e+05 1.438351e+06 2.476484e+05 1.679573e+06 6.474202e+05 4.168880e+05 3.619007e+05 2.099475e+06 3.046666e+05 1.843761e+06 1.977744e+06 3.275060e+05 1.295713e+06 1.441910e+06 2.079147e+06 1.176591e+05 3.014672e+05 4.546476e+05 4.117993e+05 3.645416e+05 2.314452e+05 4.012622e+05 3.910020e+05 2.130521e+05 3.861467e+05 2.339592e+05 5.474920e+05 2.107452e+06 5.125630e+05 2.224378e+06 3.131780e+05 4.979600e+05 1.544321e+06 4.930484e+05 3.102566e+05 2.133157e+05 4.086432e+05 5.752365e+05 4.049979e+05 5.615673e+05 3.696506e+05 6.027919e+05 1.075719e+06 5.668777e+05 6.257458e+05 6.532352e+05 3.308939e+05 3.643444e+05 4.323236e+05 5.383068e+05 5.894286e+05 2.662958e+05 4.623823e+05 1.525086e+06 4.879849e+05 7.061376e+05 5.775089e+05 3.388824e+05 3.752741e+05 4.132190e+05 3.236863e+05 4.682017e+05 7.853636e+05 5.130792e+05 5.798138e+05 3.922203e+05 3.822569e+05 1.004266e+06 6.263131e+05 6.327058e+05 4.087117e+05 6.164262e+05 6.656112e+05 4.719872e+05 4.659864e+05 C7 H10 O2_1.856 7.022741e+05 1.461462e+06 1.536111e+06 1.529186e+06 1.030778e+05 2.030215e+05 1.017724e+06 2.182921e+06 46592.93 1.676278e+06 1.157536e+06 1.769885e+06 79959.52 8.486795e+05 1.062642e+06 1.468264e+06 1.846740e+05 1.152377e+06 1.154972e+06 1.358360e+06 1.004287e+05 9.627565e+05 1.747612e+06 1.065844e+06 90038.792 2.094746e+06 1.366138e+06 1.019115e+06 2.628154e+05 9.499373e+05 1.435146e+06 1.704840e+06 222166.31 1.103129e+06 1.356486e+06 1.370782e+06 2.113874e+05 1.088430e+06 1.523917e+06 1.430184e+06 1.090562e+05 1.400650e+06 1.180215e+06 1.430412e+06 9.029895e+04 1.027750e+06 1.745197e+06 1.180747e+06 3.552813e+05 7.302581e+05 9.409661e+05 9.995279e+05 6.605334e+05 6.979921e+05 6.875991e+05 1.318791e+06 1.146181e+06 9.830770e+05 1.381480e+06 1.123294e+06 1.952257e+06 1.603680e+06 1.547904e+06 1.846645e+06 1.832782e+06 6.773386e+05 6.677315e+05 1.669752e+06 1.280032e+06 9.514501e+05 1.599880e+06 1.636246e+06 1.852949e+06 4.111914e+06 3.164010e+05 4.873540e+05 5.641839e+05 6.062632e+05 2.016939e+06 9.769326e+05 3.626766e+05 6.651975e+05 4.503177e+05 7.714128e+05 5.690748e+05 7.802211e+05 7.772945e+05 6.123528e+05 5.684212e+05 6.152055e+05 1.118073e+06 5.420145e+05 4.842837e+05 5.084199e+05 1.492150e+06 6.385285e+05 1.311477e+06 2.277607e+05 7.371760e+05 5.953088e+05 4.295410e+05 7.846373e+05 2.172580e+05 7.038172e+05 1.414617e+06 7.099997e+05 5.562634e+05 8.604420e+05 3.917304e+05 2.385482e+05 3.625902e+05 1.268428e+06 8.200545e+05 1.066783e+06 3.884570e+05 2.375877e+05 2.156678e+05 6.134889e+05 3.387800e+05 8.332016e+05 1.210784e+06 8.375420e+05 1.808132e+05 5.685284e+05 5.325746e+05 2.814045e+05 4.030413e+05 4.106412e+05 3.827756e+05 2.782104e+05 6.323905e+05 4.269003e+05 3.649956e+05 7.096413e+05 4.711850e+05 3.802519e+05 6.949218e+05 2.211672e+05 5.775429e+05 7.350481e+05 2.663620e+05 7.285372e+05 8.318475e+05 2.147087e+05 3.083802e+05 6.252828e+05 4.859927e+05 5.311026e+05 5.139925e+05 8.566414e+05 5.909822e+05 3.764212e+05 6.150002e+05 8.151092e+05 2.934240e+05 2.998662e+05 8.751818e+05 6.537750e+05 5.581653e+05 4.616347e+05 4.284891e+05 7.103801e+05 4.223480e+05 3.613290e+05 9.169178e+05 5.658739e+05 7.139927e+05 1.125912e+06 5.171777e+05 7.033347e+05 6.298157e+05 4.415428e+05 7.692925e+05 7.251628e+05 1.514856e+06 8.906524e+05 1.519090e+06 1.552295e+06 6.445807e+06 1.422257e+06 9.590314e+06 1.949189e+06 1.674993e+06 6.534233e+06 1.750447e+06 1.956063e+06 2.497461e+06 3.725100e+06 5.024167e+06 2.791211e+06 7.292264e+06 9.796110e+05 9.570142e+05 2.080531e+06 1.006874e+07 1.006094e+06 6.181585e+06 6.409523e+06 1.359984e+06 7.696818e+06 4.345863e+06 6.601968e+06 2.172356e+06 1.666926e+06 3.413727e+06 3.018934e+06 3.330334e+06 1.487488e+06 2.269898e+06 4.573686e+06 1.237222e+06 1.863537e+06 1.154249e+06 2.372133e+06 2.194415e+06 3.629060e+06 5.783215e+06 3.209198e+06 3.031384e+06 3.196222e+06 1.721044e+06 2.381179e+06 7.825841e+05 1.742793e+06 1.543333e+06 2.759945e+06 2.972146e+06 3.148584e+06 5.302170e+06 1.690856e+06 1.209923e+06 8.193566e+06 1.428710e+06 2.897123e+06 1.931353e+06 9.420674e+05 1.241895e+06 1.164662e+06 1.131092e+06 8.945771e+05 1.159153e+06 1.258668e+06 1.660075e+06 2.663069e+06 1.156643e+06 1.952361e+06 2.030957e+06 1.815042e+06 1.281652e+06 2.092954e+06 2.217094e+06 7.842726e+05 2.011949e+06 7.875667e+05 3.304703e+06 4.779942e+05 7.010884e+05 5.552632e+05 8.844277e+05 1.301387e+06 2.621408e+06 1.609343e+06 C15 H26 N3 P S_1.856 7.450393e+04 1.354888e+06 1.138750e+06 1.119940e+06 1.049771e+05 7.383068e+05 1.339285e+06 1.312789e+06 77320.03 1.135321e+06 1.132747e+06 1.384556e+06 78509.87 1.094762e+06 1.026044e+06 1.164245e+06 6.603201e+04 1.026122e+06 1.067742e+06 1.591541e+06 1.523651e+05 8.654925e+05 1.275404e+06 1.169689e+06 108668.040 1.139610e+06 1.088133e+06 9.906076e+05 1.130978e+05 1.289318e+06 1.155978e+06 1.578228e+06 134796.57 8.473843e+05 1.185388e+06 1.153959e+06 1.493093e+05 1.002250e+06 1.252881e+06 1.307022e+06 1.150795e+05 1.011776e+06 1.113462e+06 1.256252e+06 5.721233e+04 9.795904e+05 1.466146e+06 9.960020e+05 5.254124e+05 8.711914e+05 3.320120e+05 9.511464e+05 5.895809e+05 1.157309e+06 6.332321e+05 3.958663e+05 8.476469e+05 9.249919e+05 5.470289e+05 8.528421e+05 7.570201e+05 5.251043e+05 3.793178e+05 1.164882e+06 7.645474e+05 3.705219e+06 5.997819e+05 3.308180e+05 1.079433e+06 5.028840e+05 1.007889e+06 5.127585e+05 4.179879e+05 3.480153e+05 2.758760e+06 1.294649e+06 3.377217e+06 1.706317e+06 3.001732e+06 3.602419e+06 1.551667e+06 1.378152e+06 1.812417e+06 1.709826e+06 1.286382e+06 3.682319e+06 2.477572e+06 7.000255e+05 2.783201e+06 2.325642e+06 1.730978e+06 3.055282e+06 6.355983e+05 5.091685e+05 4.912998e+05 8.265176e+05 6.847016e+05 1.762641e+05 3.111182e+05 6.993416e+05 3.553533e+05 4.584113e+05 1.592370e+05 7.398091e+05 2.279144e+05 5.223299e+05 3.524774e+05 3.285584e+05 4.572538e+05 2.228137e+05 7.805805e+05 7.813296e+05 7.581294e+05 1.665039e+05 3.818195e+05 1.796194e+05 4.762726e+05 3.892458e+05 4.785486e+05 9.811026e+05 3.446209e+05 1.723236e+05 1.441328e+05 2.709217e+05 1.532378e+05 2.111748e+05 6.500487e+05 1.648502e+05 5.251316e+05 3.942493e+05 9.217241e+05 5.130795e+05 1.194534e+06 1.064315e+06 6.788803e+05 5.350944e+05 1.205139e+06 9.136408e+05 4.623552e+05 1.012532e+06 1.117490e+06 8.837198e+05 8.236873e+05 8.697435e+05 1.582668e+06 1.241612e+06 1.729679e+06 1.055230e+06 1.424362e+06 1.774284e+06 1.253815e+06 1.985905e+06 1.449101e+06 7.463847e+05 5.305910e+05 4.421193e+05 8.266254e+05 1.147303e+06 7.080107e+05 6.852684e+05 1.998930e+05 6.844834e+05 7.182008e+05 8.927464e+05 2.122093e+06 1.290557e+06 6.929861e+05 1.113770e+06 8.657388e+05 9.077841e+05 2.423838e+06 7.003664e+05 9.945866e+05 8.137765e+05 1.685779e+06 1.390950e+06 7.416302e+05 5.637252e+05 7.378549e+05 7.866782e+05 1.365844e+06 2.391609e+06 9.299467e+05 2.352471e+06 8.788196e+05 1.133776e+06 1.971726e+06 6.162832e+05 1.737541e+06 2.160257e+06 3.189403e+06 1.862718e+06 8.856180e+05 8.077752e+05 2.745297e+06 8.032785e+05 2.549449e+06 2.759966e+06 1.901776e+06 4.203787e+06 2.420432e+06 3.657858e+06 1.350885e+06 2.899628e+06 2.633449e+06 1.450319e+06 1.954207e+06 8.194766e+05 3.837165e+06 2.266964e+06 5.059176e+05 1.172951e+06 1.979730e+06 2.451124e+06 6.938651e+05 1.979341e+06 7.035427e+06 1.164579e+06 1.939907e+06 1.658881e+06 2.331619e+06 1.763826e+06 2.829576e+05 1.638914e+06 1.357320e+06 1.435854e+06 8.074681e+05 1.247998e+06 1.575527e+06 1.064257e+06 7.498114e+05 2.308830e+06 1.254756e+06 4.797918e+05 9.815987e+05 1.595634e+06 2.721375e+06 8.973027e+05 1.137658e+06 8.744999e+05 9.998036e+06 7.327384e+05 8.154112e+05 1.393505e+06 1.296680e+06 1.319962e+06 5.564917e+05 7.248892e+05 1.295051e+06 1.238917e+06 1.666637e+06 1.064046e+06 6.668364e+05 1.715508e+06 2.432827e+06 1.029035e+06 1.562485e+06 1.095465e+06 9.496118e+05 5.299661e+05 8.294244e+05 1.057600e+06 Gentianamine_1.858 6.508091e+05 2.001717e+05 1.630913e+05 1.445891e+05 4.523338e+04 1.547591e+05 1.930274e+05 1.936907e+05 34579.94 1.783299e+05 1.959062e+05 1.795852e+05 37009.98 1.401855e+05 2.121559e+05 1.645994e+05 3.106071e+04 1.748616e+05 1.647374e+05 1.917727e+05 8.121787e+04 1.195665e+05 2.623328e+05 2.124091e+05 63049.390 1.538049e+05 1.451885e+05 1.739759e+05 7.787621e+04 1.087500e+05 2.104631e+05 2.315981e+05 89039.60 1.001752e+05 1.915535e+05 1.215335e+05 8.716907e+04 1.864204e+05 1.541766e+05 1.988067e+05 6.315797e+04 8.117080e+04 1.592795e+05 2.992864e+05 3.259605e+04 9.853480e+04 1.656078e+05 1.154231e+05 1.018276e+05 7.317018e+05 1.055448e+05 3.022002e+05 9.996444e+04 1.462110e+05 6.649818e+04 2.078325e+05 6.235406e+05 1.420287e+05 1.068957e+06 4.137900e+05 9.988541e+04 1.609048e+05 1.289934e+06 1.812596e+06 9.636523e+04 3.836646e+05 6.291144e+04 1.070912e+05 6.552260e+04 8.819830e+04 6.749660e+04 1.488092e+05 8.755806e+04 9.077181e+04 1.150596e+05 7.551354e+04 3.099891e+05 5.601494e+04 1.860148e+05 9.312922e+04 6.296022e+04 4.851469e+04 4.653754e+05 6.140289e+05 3.653460e+05 9.269999e+04 9.376238e+04 4.271270e+04 6.763417e+04 6.228597e+04 2.119030e+05 7.429483e+04 8.116295e+04 9.820501e+05 7.080051e+05 4.106196e+05 1.029700e+05 1.352720e+05 6.140827e+04 2.539669e+05 8.013634e+04 4.319623e+05 9.398630e+04 9.168870e+04 2.352857e+05 6.727049e+05 1.136063e+05 1.999297e+05 1.467815e+05 8.164373e+04 1.052082e+05 2.059233e+05 7.694492e+04 1.825537e+05 1.049372e+05 1.870643e+05 6.136943e+04 9.209196e+05 1.458301e+05 9.672410e+04 1.052978e+05 1.764695e+05 7.815781e+04 1.265457e+05 1.991761e+05 1.616928e+05 7.211765e+04 3.508709e+05 5.586793e+04 6.763821e+04 1.055230e+05 1.020137e+05 8.949930e+04 7.944530e+04 2.308167e+05 8.665286e+05 1.381240e+05 4.556855e+05 8.185720e+04 6.061947e+04 5.922995e+05 8.494791e+04 2.270486e+05 1.630950e+05 7.482739e+04 3.290726e+05 9.253785e+04 9.235846e+04 6.423173e+04 1.023139e+05 1.464245e+05 2.589284e+05 6.053668e+04 3.314237e+05 4.509074e+05 4.838851e+05 1.845876e+05 2.569860e+05 9.172055e+04 5.693961e+04 1.220972e+05 1.779955e+05 5.335726e+05 1.813214e+05 5.051597e+05 5.936834e+05 6.942524e+05 7.192480e+04 1.233841e+05 1.098513e+05 2.450776e+05 8.975083e+04 1.011989e+05 8.214465e+04 1.052922e+05 1.096514e+05 1.737839e+05 1.276420e+05 2.026445e+05 6.350153e+04 2.564601e+05 9.985228e+04 3.284746e+05 1.089451e+05 7.309117e+05 9.195502e+04 9.106119e+04 9.830900e+04 2.449040e+05 1.246766e+05 1.162699e+06 4.398763e+05 1.001080e+05 1.192703e+05 1.121516e+05 5.467720e+04 1.010311e+05 1.054867e+05 7.765692e+04 1.042129e+05 8.492757e+04 1.381092e+05 1.154382e+05 2.822523e+05 6.078794e+04 9.384245e+04 3.811224e+05 6.119568e+04 5.627994e+05 8.489101e+04 7.821305e+05 1.808778e+05 1.912327e+05 2.049209e+05 8.605480e+04 8.927932e+04 4.036842e+05 1.232480e+05 7.772007e+04 7.328794e+04 6.791896e+04 4.840780e+04 1.867842e+05 1.392200e+05 2.629667e+05 9.141109e+05 1.215003e+05 9.682167e+04 3.871538e+05 2.295199e+05 6.832229e+04 2.362734e+05 5.337542e+05 1.413493e+05 1.391581e+05 6.723307e+05 6.713829e+04 1.814558e+05 9.049110e+05 5.384961e+04 4.103098e+05 7.052608e+04 8.511871e+04 4.697169e+05 7.473113e+04 1.028572e+05 1.440652e+05 8.692884e+05 1.860401e+05 1.388837e+05 1.872876e+05 4.631919e+05 1.049348e+05 6.262238e+04 2.032712e+05 3.006409e+05 1.157701e+05 9.434099e+04 1.989298e+05 1.930627e+05 4.363771e+05 3.066625e+05 C10 H27 N8 O3 P_1.859 9.675647e+04 1.583227e+06 1.495099e+06 1.394002e+06 1.416547e+05 9.910038e+05 1.613310e+06 1.291761e+06 120647.64 1.586730e+06 1.459633e+06 1.513603e+06 118664.56 1.364615e+06 1.285458e+06 1.491586e+06 9.567101e+04 1.371235e+06 1.378617e+06 1.577343e+06 2.391091e+05 1.215620e+06 1.460838e+06 1.576094e+06 166471.292 1.445633e+06 1.356190e+06 1.274754e+06 1.771713e+05 1.525403e+06 1.359495e+06 1.526437e+06 205237.63 1.226694e+06 1.557830e+06 1.514050e+06 1.901714e+05 1.326016e+06 1.411166e+06 1.389563e+06 1.500052e+05 1.212530e+06 1.723771e+06 1.584263e+06 8.168304e+04 1.208998e+06 1.471881e+06 1.333337e+06 5.781563e+05 8.550208e+05 2.656058e+05 6.743728e+05 3.547301e+05 1.135854e+06 4.609807e+05 6.517076e+05 1.027389e+06 6.162838e+05 5.441264e+05 7.800374e+05 6.566454e+05 5.377426e+05 3.545662e+05 8.731872e+05 5.045815e+05 5.848161e+06 5.645892e+05 2.380104e+05 7.001922e+05 3.889529e+05 6.178532e+05 4.423359e+05 2.760780e+05 5.033518e+05 3.774836e+06 1.180774e+06 3.468558e+06 2.966240e+06 1.926260e+06 6.351537e+06 1.837637e+06 1.187564e+06 1.808262e+06 2.401910e+06 1.756927e+06 5.719893e+06 3.358132e+06 6.863189e+05 3.123022e+06 2.871747e+06 1.884368e+06 5.339834e+06 6.478813e+05 5.266816e+05 4.121036e+05 7.989903e+05 7.327960e+05 2.468982e+05 2.647797e+05 7.905895e+05 2.308445e+05 8.153994e+05 2.796624e+05 5.488199e+05 5.140495e+05 6.127658e+05 4.524417e+05 4.282138e+05 8.298388e+05 2.457328e+05 1.342556e+06 7.718754e+05 8.578863e+05 3.733192e+05 4.600742e+05 2.347624e+05 5.766169e+05 5.071575e+05 5.165877e+05 8.548413e+05 2.479433e+05 1.794284e+05 1.905593e+05 5.762435e+05 2.088404e+05 3.325084e+05 7.541927e+05 2.689734e+05 5.505544e+05 5.101118e+05 9.097182e+05 1.156124e+06 1.215013e+06 1.219626e+06 8.954899e+05 6.555074e+05 1.039216e+06 8.914771e+05 7.897794e+05 9.587801e+05 4.456440e+05 1.969489e+06 1.232858e+06 7.188534e+05 6.295496e+05 6.366541e+05 9.171187e+05 4.498924e+05 8.564300e+05 1.518628e+06 1.302216e+06 1.977864e+06 1.514062e+06 6.241875e+05 6.013282e+05 3.570891e+05 5.127342e+05 1.181433e+06 6.758345e+05 4.771536e+05 2.325135e+05 4.596045e+05 7.079426e+05 1.239392e+06 2.864997e+06 1.587215e+06 6.240764e+05 1.215268e+06 9.930920e+05 1.044673e+06 3.033621e+06 7.704630e+05 9.305434e+05 8.452480e+05 1.826891e+06 1.810715e+06 4.326515e+05 4.331812e+05 5.449022e+05 5.625277e+05 1.591743e+06 4.500845e+06 9.856280e+05 5.844343e+06 9.061077e+05 1.168272e+06 1.730699e+06 7.273733e+05 2.648889e+06 2.101706e+06 6.965180e+06 1.660642e+06 1.219681e+06 5.067164e+05 3.910153e+06 1.069557e+06 3.235202e+06 7.790017e+06 2.619242e+06 6.991320e+06 3.465740e+06 7.097202e+06 7.142647e+05 2.668015e+06 3.587963e+06 1.041779e+06 1.906112e+06 7.768649e+05 4.402702e+06 2.816173e+06 5.662062e+05 1.101093e+06 2.933184e+06 3.315079e+06 5.239083e+05 2.416355e+06 1.073926e+07 1.514291e+06 1.843000e+06 1.625882e+06 2.494335e+06 1.993778e+06 3.857779e+05 1.189593e+06 1.140315e+06 2.757792e+06 7.719883e+05 9.440264e+05 1.237127e+06 6.612366e+05 7.227916e+05 2.778553e+06 1.716499e+06 4.209284e+05 1.040696e+06 1.739069e+06 4.295275e+06 1.072296e+06 1.043910e+06 9.731129e+05 2.218771e+07 1.053282e+06 1.010126e+06 1.666043e+06 1.589235e+06 2.201569e+06 6.165704e+05 6.743294e+05 1.677937e+06 1.504096e+06 2.514736e+06 1.320098e+06 7.836613e+05 1.175477e+06 2.338829e+06 1.641982e+06 2.478083e+06 1.105107e+06 1.490350e+06 5.327194e+05 1.032019e+06 1.243028e+06 C32 H59 N O7 S_1.863 3.911013e+04 2.706358e+06 2.895308e+06 2.439685e+06 5.773056e+04 1.759823e+06 2.853280e+06 2.433913e+06 50779.74 2.485454e+06 2.709519e+06 2.909738e+06 50294.18 2.375988e+06 2.209429e+06 2.667346e+06 4.183153e+04 2.498273e+06 2.317695e+06 2.841455e+06 1.066244e+05 2.168891e+06 2.741681e+06 2.638432e+06 74368.270 2.553146e+06 2.474523e+06 2.262180e+06 7.811367e+04 2.700813e+06 2.627709e+06 2.819021e+06 92475.10 2.026890e+06 2.658178e+06 2.423125e+06 8.394541e+04 2.627167e+06 2.728282e+06 2.322356e+06 6.935020e+04 2.061926e+06 3.108615e+06 2.620351e+06 3.479297e+04 2.476953e+06 2.604171e+06 2.326885e+06 2.054750e+06 2.368334e+06 9.796483e+05 1.521578e+06 9.767994e+05 2.056498e+06 1.419056e+06 1.461602e+06 1.502127e+06 1.548116e+06 2.120635e+06 2.795640e+06 2.116761e+06 1.692359e+06 1.892428e+06 2.247838e+06 1.879190e+06 2.590913e+06 2.795512e+06 1.629136e+06 1.700062e+06 1.439946e+06 2.421045e+06 2.122803e+06 2.225182e+06 2.129398e+06 2.483417e+06 1.927003e+06 2.920088e+06 2.863178e+06 6.009956e+05 2.216934e+06 2.126845e+06 2.509037e+06 2.133681e+06 2.597634e+06 1.930986e+06 2.705268e+06 1.773918e+06 1.085809e+06 1.941278e+06 2.468841e+06 3.227996e+06 2.537310e+06 3.142607e+06 1.894917e+06 2.068599e+06 2.574106e+06 3.304458e+06 2.014703e+06 2.259299e+06 1.920749e+06 1.719160e+06 3.206315e+06 1.625493e+06 2.105182e+06 2.199392e+06 2.586438e+06 1.837583e+06 2.144206e+06 1.490261e+06 1.900081e+06 1.785414e+06 3.934172e+06 2.562285e+06 2.941568e+06 3.275619e+06 2.079280e+06 2.992110e+06 2.506210e+06 1.999463e+06 2.432356e+06 1.235645e+06 1.685342e+06 1.228760e+06 2.917604e+06 2.339661e+06 2.352506e+06 3.903567e+06 1.556557e+06 2.511465e+06 3.031292e+06 2.021941e+06 9.908349e+04 2.613267e+06 2.348543e+06 2.141340e+06 2.110798e+06 2.731255e+06 3.081629e+06 2.515361e+06 2.655941e+06 8.500989e+05 3.735850e+06 3.228724e+06 6.415063e+05 1.161542e+06 1.369826e+06 1.359701e+06 1.360314e+06 1.703847e+06 1.839020e+06 1.996607e+06 1.778387e+06 1.620406e+06 2.186235e+06 1.879476e+06 2.239568e+06 3.865824e+06 4.303322e+06 4.239261e+06 2.095546e+06 3.096727e+06 3.049430e+06 2.082514e+06 1.754152e+06 3.264916e+06 1.820495e+06 1.639250e+06 1.870611e+06 2.042769e+06 2.294895e+06 2.490985e+06 1.880675e+06 2.423351e+06 1.898599e+06 3.228634e+06 2.462012e+06 1.651478e+06 1.834310e+06 1.800222e+06 1.785310e+06 4.596901e+06 2.526865e+06 2.614775e+06 3.973144e+06 2.788162e+06 2.818553e+06 2.303903e+06 2.505698e+06 3.931121e+06 2.207781e+06 3.094685e+06 2.329327e+06 1.421543e+06 3.090180e+06 5.723511e+06 2.278181e+06 4.162615e+06 2.616469e+06 1.759690e+06 3.131596e+06 4.046383e+06 4.131200e+06 1.926521e+06 1.974260e+06 2.902455e+06 2.235235e+06 2.905654e+06 1.838343e+06 3.730981e+06 2.792148e+06 2.616247e+06 2.491321e+06 1.654634e+06 2.821179e+06 3.571219e+06 2.929924e+06 3.638942e+06 3.545663e+06 3.897017e+06 2.609670e+06 2.788267e+06 2.138514e+06 1.951806e+06 2.660446e+06 4.126019e+06 4.255816e+06 4.172996e+06 4.022728e+06 3.066849e+06 2.634251e+06 3.913047e+06 3.984679e+06 2.405867e+06 2.766659e+06 3.317154e+06 2.221467e+06 3.018974e+06 2.414041e+06 2.809505e+06 2.341932e+06 3.924606e+06 5.233733e+06 5.525873e+06 5.724678e+06 3.613589e+06 4.870059e+06 5.521985e+06 4.086524e+06 4.658888e+06 6.758796e+06 4.604505e+06 1.516786e+06 5.438940e+06 2.179200e+06 1.033162e+07 1.223810e+06 1.292053e+06 1.446626e+06 2.011282e+06 4.786545e+06 4.965413e+06 6.287696e+06 C10 H19 N O3_1.864 1.026540e+05 6.385565e+05 5.434332e+05 6.710991e+05 8.772285e+04 2.877230e+05 5.512774e+05 7.205173e+05 91129.08 4.389898e+05 5.088834e+05 4.251544e+05 70732.40 7.752318e+05 8.185479e+05 9.631227e+05 5.036319e+04 3.969894e+05 3.181881e+05 5.929659e+05 1.818505e+05 4.219411e+05 6.529085e+05 6.140497e+05 139130.691 7.055685e+05 6.389283e+05 5.932251e+05 1.503154e+05 6.086692e+05 4.996093e+05 6.387528e+05 181379.25 6.110269e+05 6.482674e+05 4.272404e+05 1.659055e+05 7.182017e+05 6.367645e+05 5.725234e+05 1.398350e+05 4.504560e+05 5.675701e+05 8.266967e+05 2.179149e+05 4.068381e+05 6.679769e+05 5.509682e+05 2.874833e+05 1.560382e+05 3.774880e+05 2.963791e+05 3.583727e+05 5.668335e+05 2.174743e+05 4.142298e+05 4.371809e+05 2.971634e+05 7.752791e+05 2.654418e+05 6.750791e+05 4.698986e+05 2.409303e+05 6.498163e+05 4.373531e+05 3.383676e+05 3.373928e+05 4.952428e+05 3.414626e+05 3.904152e+05 4.602083e+05 4.238200e+05 5.491966e+05 5.523004e+05 1.981169e+05 2.070873e+05 1.555540e+05 3.454887e+05 6.719548e+06 3.722017e+05 1.319435e+05 1.234464e+05 3.383860e+05 1.752524e+05 5.274015e+05 2.879387e+05 4.238801e+05 1.139127e+05 2.317905e+05 2.169579e+05 3.801728e+05 2.511654e+05 5.004786e+05 3.192997e+05 5.871601e+05 1.759663e+05 7.678143e+05 4.057209e+05 2.767552e+05 2.777280e+05 1.579125e+05 3.663392e+05 4.683997e+05 1.895686e+05 3.170470e+05 4.446628e+05 1.861670e+05 5.152808e+05 5.107473e+05 2.005724e+05 2.100333e+05 6.028248e+05 5.922932e+05 4.433071e+05 2.163221e+05 1.123683e+05 4.256835e+05 5.613108e+05 3.155890e+05 4.618794e+05 2.111642e+05 3.740040e+05 1.868783e+05 2.166046e+05 3.319971e+05 2.141964e+05 1.653698e+05 3.571371e+05 1.043162e+05 3.925555e+05 4.412303e+05 2.156035e+07 5.890825e+05 3.157837e+05 1.833822e+05 2.377610e+05 5.118183e+05 2.757942e+05 3.818732e+05 4.976918e+05 7.019797e+05 3.981531e+05 3.121670e+05 7.088173e+05 8.971675e+05 1.068940e+06 1.366512e+06 1.021931e+06 1.060367e+06 1.823491e+06 9.405906e+05 4.286986e+05 4.111428e+05 4.763754e+05 4.334208e+05 5.061489e+05 6.244489e+05 3.597889e+05 7.470372e+05 1.551270e+05 3.324579e+05 3.548549e+05 4.353789e+05 1.170739e+06 9.481269e+05 4.464647e+05 3.352737e+05 6.587325e+05 5.683469e+05 5.902473e+05 4.213620e+05 6.437019e+05 7.362904e+05 4.586587e+05 5.931848e+05 5.453742e+05 6.588373e+05 4.404763e+05 3.906172e+05 3.595849e+05 3.530261e+05 4.663064e+05 3.045024e+05 7.795917e+05 5.491676e+05 3.759592e+05 2.245536e+05 2.334542e+05 4.405478e+05 3.111229e+05 4.135214e+05 1.587752e+05 2.445822e+05 2.950376e+05 8.461866e+05 2.554700e+05 4.075012e+05 5.865807e+05 1.667148e+05 3.034278e+05 2.794182e+05 4.638838e+05 2.551307e+05 1.897137e+05 2.069786e+05 1.704672e+05 1.929882e+05 1.481059e+05 1.861258e+05 2.031797e+05 2.557155e+05 2.706914e+05 1.571356e+05 2.028972e+05 8.064584e+05 1.659852e+05 7.915581e+05 4.186297e+05 1.979066e+05 8.216784e+05 4.824562e+05 2.449261e+05 2.194875e+05 2.754153e+05 4.132095e+05 2.495423e+05 3.433239e+05 3.745427e+05 1.753669e+05 4.825887e+05 4.356568e+05 2.488904e+05 2.035863e+05 1.506391e+05 2.178941e+05 2.575947e+05 2.055793e+05 2.211396e+05 1.777167e+05 5.622473e+05 1.216772e+06 6.458788e+05 5.474649e+05 4.535546e+05 1.644438e+05 5.696820e+05 2.658795e+05 2.907314e+05 6.896023e+05 5.844536e+05 4.433228e+05 4.784071e+05 4.404418e+05 2.954006e+05 8.752282e+05 5.273912e+05 6.794826e+05 5.603132e+05 2.938074e+05 5.946067e+05 8.259147e+05 2.302781e+05 C14 H27 N3 O3_1.866 3.571555e+04 3.140092e+05 3.215740e+05 2.415471e+05 4.772052e+04 1.203869e+05 2.751719e+05 3.158980e+05 38922.10 2.635128e+05 2.750672e+05 3.040659e+05 37432.68 2.045925e+05 2.483969e+05 2.593500e+05 3.044051e+04 2.700876e+05 2.564902e+05 3.070702e+05 7.853759e+04 2.044942e+05 2.798313e+05 3.120872e+05 60160.953 2.666121e+05 2.628295e+05 2.284288e+05 7.491395e+04 1.909553e+05 3.276448e+05 3.288393e+05 91366.36 1.510052e+05 2.990706e+05 2.777396e+05 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1.311809e+06 8.418346e+04 7.582621e+05 1.417309e+06 1.250336e+06 64850.99 1.420988e+06 1.321245e+06 1.326034e+06 63434.77 1.269854e+06 1.152231e+06 1.341781e+06 5.445956e+04 1.244276e+06 1.254167e+06 1.435751e+06 1.274325e+05 1.105303e+06 1.312881e+06 1.399285e+06 89112.108 1.317457e+06 1.253748e+06 1.148137e+06 9.546230e+04 1.363178e+06 1.229403e+06 1.430028e+06 112260.31 1.131736e+06 1.333368e+06 1.440714e+06 1.015949e+05 1.076116e+06 1.310940e+06 1.287791e+06 8.345714e+04 1.121955e+06 1.573635e+06 1.388332e+06 4.360200e+04 1.098447e+06 1.338020e+06 1.203674e+06 4.460030e+05 7.568912e+05 1.556609e+05 5.324760e+05 2.571596e+05 1.136531e+06 3.631878e+05 4.933439e+05 9.274727e+05 5.163505e+05 4.332789e+05 6.268724e+05 5.309663e+05 4.163948e+05 2.251678e+05 7.408371e+05 3.168323e+05 5.031726e+06 4.633264e+05 1.311912e+05 5.740691e+05 2.834003e+05 4.324804e+05 3.464015e+05 1.387858e+05 3.459976e+05 3.188777e+06 1.075214e+06 3.019011e+06 2.498948e+06 1.558506e+06 5.184458e+06 1.667307e+06 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1.601908e+06 3.760680e+06 1.002700e+06 8.269447e+05 9.018678e+05 1.837688e+07 9.154696e+05 8.653833e+05 1.437547e+06 1.416374e+06 1.845777e+06 4.809185e+05 5.485662e+05 1.465060e+06 1.353161e+06 2.068147e+06 1.279550e+06 6.759859e+05 1.089381e+06 1.959934e+06 1.446563e+06 2.089975e+06 9.425050e+05 1.266893e+06 4.253341e+05 9.359233e+05 1.074254e+06 C6 H14 O3_1.868 4.458162e+05 5.574298e+05 9.587798e+05 2.316783e+06 1.704173e+05 3.712026e+05 9.541923e+05 1.201623e+06 309509.22 9.143034e+05 1.126848e+06 8.730929e+05 125687.03 1.117044e+06 9.759738e+05 1.236783e+06 1.297107e+05 9.054862e+05 1.060533e+06 1.038640e+06 1.408494e+05 8.111332e+05 1.113808e+06 1.694893e+06 65284.741 6.984211e+05 1.044189e+06 8.641452e+05 4.687507e+05 8.450815e+05 1.191982e+06 1.204615e+06 389377.71 7.481872e+05 1.183179e+06 1.318050e+06 8.354772e+04 8.140128e+05 9.782316e+05 1.162684e+06 3.609541e+05 7.570930e+05 1.108442e+06 1.307565e+06 5.862890e+05 9.798049e+05 1.193223e+06 7.642965e+05 4.415020e+05 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1.439732e+06 1.242216e+06 1.533990e+06 9.566153e+04 1.298775e+06 1.459086e+06 1.548982e+06 69031.301 1.431590e+06 1.333077e+06 1.193306e+06 7.395995e+04 1.400918e+06 1.390247e+06 1.742515e+06 83179.01 1.247217e+06 1.296176e+06 1.449195e+06 7.558647e+04 1.423204e+06 1.362189e+06 1.335605e+06 6.397929e+04 1.392547e+06 1.395000e+06 1.666583e+06 3.447375e+04 1.286620e+06 1.700848e+06 1.039125e+06 1.186377e+06 1.445671e+06 4.639535e+05 4.235199e+05 2.035442e+05 1.047820e+06 4.234362e+05 5.774499e+05 5.135440e+05 4.496720e+05 5.498076e+05 1.588572e+06 6.302313e+05 5.447396e+05 6.703006e+05 6.707673e+05 5.678134e+05 1.462694e+06 1.259783e+06 4.249948e+05 4.812993e+05 5.403996e+05 7.617445e+05 6.559017e+05 7.519889e+05 7.289973e+05 1.122232e+06 1.066106e+06 1.296557e+06 1.227727e+06 1.217627e+06 1.615336e+06 1.175423e+06 1.192049e+06 1.010325e+06 1.412074e+06 8.285190e+05 1.207982e+06 9.093813e+05 4.573913e+05 1.003709e+06 1.135228e+06 1.477353e+06 1.205534e+06 1.214703e+06 9.597384e+05 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9.194905e+05 1.278698e+06 1.101671e+06 1.823650e+06 1.531924e+06 5.847444e+05 4.997846e+05 5.980894e+05 6.267132e+05 2.271630e+06 1.411356e+06 1.243330e+06 2.155606e+06 1.592189e+06 1.379256e+06 1.291676e+06 1.575584e+06 2.164241e+06 1.116713e+06 1.807040e+06 1.348445e+06 5.218384e+05 1.550875e+06 3.978660e+06 1.135179e+06 2.034374e+06 2.840973e+06 9.541819e+05 2.358496e+06 2.258573e+06 2.864824e+06 1.044851e+06 1.133638e+06 1.427992e+06 1.219917e+06 1.535772e+06 7.889371e+05 1.844054e+06 1.719150e+06 1.263877e+06 1.484984e+06 1.014367e+06 1.605578e+06 1.939158e+06 1.680213e+06 1.784973e+06 2.284622e+06 1.905814e+06 1.334362e+06 1.997964e+06 1.344541e+06 9.199181e+05 1.437004e+06 2.131113e+06 2.337428e+06 1.860301e+06 1.706239e+06 1.903058e+06 1.410539e+06 1.746034e+06 1.925485e+06 9.741222e+05 1.529464e+06 2.206948e+06 8.046691e+05 1.322620e+06 8.810472e+05 1.376582e+06 1.017893e+06 1.413680e+06 3.116920e+06 4.484423e+06 4.437638e+06 2.795635e+06 4.256150e+06 4.223305e+06 2.706670e+06 3.496705e+06 5.404269e+06 2.566416e+06 5.917267e+05 3.524532e+06 1.203249e+06 7.329082e+06 5.016982e+05 5.738619e+05 5.787087e+05 8.309152e+05 3.085649e+06 3.714544e+06 4.341916e+06 INDOLE-3-ACETATE 1.772425e+07 4.641084e+06 4.662144e+06 4.611432e+06 6.301423e+04 2.633352e+06 4.647463e+06 4.760333e+06 43443.99 4.688511e+06 4.374542e+06 5.082351e+06 37933.16 3.812600e+06 4.244602e+06 4.259332e+06 3.768237e+04 3.814974e+06 4.250411e+06 4.854341e+06 8.763316e+04 4.077325e+06 4.627016e+06 5.275802e+06 58519.594 3.682027e+06 4.227811e+06 4.180670e+06 7.150471e+04 4.117870e+06 4.698946e+06 4.837532e+06 86579.76 3.797152e+06 4.369261e+06 4.732300e+06 7.988448e+04 3.740424e+06 4.604060e+06 4.380129e+06 6.441690e+04 3.797525e+06 4.666905e+06 5.750608e+06 3.236278e+04 3.388244e+06 4.662131e+06 3.880878e+06 3.220075e+06 5.379527e+06 4.923708e+06 2.493547e+07 7.930305e+06 6.035434e+06 5.905572e+06 5.642897e+06 3.605275e+06 4.395358e+06 1.853220e+07 4.671720e+06 5.706358e+06 6.579421e+06 4.776819e+06 4.190203e+06 3.729408e+06 3.451814e+06 3.570910e+06 1.261320e+07 8.543869e+06 4.609076e+06 4.321194e+06 2.298352e+06 3.559345e+06 1.982969e+06 5.038297e+06 2.742405e+06 4.058312e+06 4.488909e+06 1.073196e+07 6.276765e+06 3.807210e+06 3.633583e+06 1.627037e+06 3.713339e+06 2.404186e+06 3.757260e+06 2.098097e+06 7.743520e+06 9.648989e+06 5.280017e+06 3.481588e+06 2.780309e+06 6.343858e+06 4.652499e+06 5.926485e+06 4.763116e+06 3.200995e+06 4.317069e+06 3.732205e+06 1.972174e+06 5.325750e+06 1.024584e+07 3.885118e+06 1.738309e+06 2.405462e+06 2.927213e+06 1.641856e+06 2.818810e+06 2.731295e+06 3.414366e+06 1.800908e+06 4.828814e+06 3.424479e+06 4.698938e+06 1.964978e+06 5.365926e+06 2.034399e+06 5.787910e+06 3.180151e+06 2.717309e+06 2.012527e+06 2.738212e+06 2.866980e+06 2.778760e+06 4.066462e+06 4.082002e+06 1.366148e+06 4.074406e+06 3.417520e+06 6.071997e+06 4.830177e+06 4.387572e+06 2.913412e+06 6.240007e+06 5.015301e+06 3.334013e+06 4.200826e+06 3.539792e+06 3.398694e+06 2.113001e+06 3.724835e+06 4.754569e+06 2.017061e+06 2.864319e+06 1.558922e+06 5.886664e+06 2.156964e+06 2.307013e+06 2.106525e+06 1.671168e+06 2.642784e+06 1.950338e+06 1.923244e+06 4.881968e+06 3.883252e+06 5.679108e+06 7.039322e+06 1.129705e+06 1.292642e+07 3.256452e+06 5.823025e+06 5.885805e+06 1.996069e+07 7.892339e+06 5.038243e+06 4.878177e+06 4.653365e+06 5.625407e+06 4.688682e+06 2.212634e+06 6.377610e+06 6.036105e+06 1.156751e+07 4.233341e+06 2.803374e+06 7.797003e+06 4.735681e+06 2.753892e+06 5.704744e+06 3.108017e+06 1.110070e+06 5.025874e+06 3.111151e+06 2.234150e+06 3.168879e+06 1.730470e+06 5.496195e+06 3.263677e+06 5.412985e+06 3.060904e+06 5.005863e+06 3.612386e+06 1.502259e+06 1.875225e+06 1.331432e+06 5.264307e+06 5.727534e+06 3.263872e+06 5.293797e+06 4.001255e+06 2.710410e+06 7.333778e+06 4.210443e+06 5.740231e+06 2.552075e+06 3.300765e+06 4.682062e+06 2.218290e+06 6.971428e+06 1.192336e+07 2.819723e+06 3.525549e+06 4.280794e+06 3.232532e+06 3.728659e+06 2.981585e+06 9.325034e+05 1.405823e+06 3.328808e+06 6.015784e+06 5.718051e+06 1.208986e+07 4.025812e+06 5.135438e+06 3.431938e+06 2.639904e+06 1.086570e+07 2.056649e+06 4.442382e+06 4.094937e+06 5.043943e+06 3.760967e+06 1.167583e+07 2.702821e+06 2.788767e+06 2.788528e+06 2.895493e+06 7.191147e+06 1.929068e+06 3.975691e+06 8.039769e+06 4.925418e+06 1.918560e+06 5.039187e+06 3.521706e+06 3.136954e+06 5.740343e+06 3.334820e+07 4.945342e+06 4.445465e+06 2.010225e+06 5.761859e+06 1.546035e+06 1.491649e+07 7.371173e+06 1.571390e+06 5.595001e+06 3.936470e+06 9.192863e+06 2.546615e+06 5.583817e+06 5.614291e+06 145.04142_1.873 9.399788e+04 1.130757e+06 9.845465e+05 1.240082e+06 1.177699e+05 7.585927e+05 1.813396e+06 1.312236e+06 51667.09 1.364112e+06 1.156561e+06 1.322639e+06 40293.82 1.235946e+06 1.123656e+06 1.615615e+06 3.704315e+04 9.600029e+05 8.894602e+05 1.383499e+06 8.432248e+04 1.445670e+06 1.421931e+06 1.607860e+06 60467.459 7.558542e+05 1.412915e+06 1.283710e+06 7.504605e+04 7.693926e+05 1.136864e+06 1.274672e+06 72878.25 1.576606e+06 1.212595e+06 1.215572e+06 6.071074e+04 1.362006e+06 1.177621e+06 1.155945e+06 5.416718e+04 1.403374e+06 1.081622e+06 1.579621e+06 3.361366e+04 1.170634e+06 1.431189e+06 9.114000e+05 1.071929e+06 1.402692e+06 7.031669e+05 7.560616e+05 5.871029e+05 1.023044e+06 1.025750e+06 9.140899e+05 1.192123e+06 9.870586e+05 8.252052e+05 1.968055e+06 1.143914e+06 1.018407e+06 1.242751e+06 1.124730e+06 7.695141e+05 8.536234e+05 1.415497e+06 1.097641e+06 9.366165e+05 1.140862e+06 1.366613e+06 1.148787e+06 1.494456e+06 1.739514e+06 1.291021e+06 1.146886e+06 1.208517e+06 1.429382e+06 5.878759e+04 8.653792e+05 9.644868e+05 8.455130e+05 8.867203e+05 9.703992e+05 9.604895e+05 8.687416e+05 6.021080e+05 8.536866e+05 9.962973e+05 1.312598e+06 1.669359e+06 1.070421e+06 2.205419e+06 1.165816e+06 1.606265e+06 1.288176e+06 1.466976e+06 6.687794e+05 8.896415e+05 9.454157e+05 1.102443e+06 1.458919e+06 8.187364e+05 1.000707e+06 1.458587e+06 1.612266e+06 1.052842e+06 1.542271e+06 1.034928e+06 6.539524e+05 8.800329e+05 1.579194e+06 1.492943e+06 7.014815e+05 1.179286e+06 1.525954e+06 1.556305e+06 8.964851e+05 9.160708e+05 1.064674e+06 5.143700e+05 7.186202e+05 7.705187e+05 8.164649e+05 1.002645e+06 8.635526e+05 1.626000e+06 1.140658e+06 1.128642e+06 1.208183e+06 9.942756e+05 6.529795e+04 9.085501e+05 9.481526e+05 1.101101e+06 1.250922e+06 1.519349e+06 1.455106e+06 1.284647e+06 1.393500e+06 5.874425e+05 2.026289e+06 1.610417e+06 1.094245e+06 1.247421e+06 1.059552e+06 7.733530e+05 1.120133e+06 1.308029e+06 2.065757e+06 1.544729e+06 3.558984e+06 2.491963e+06 1.047871e+06 1.182762e+06 1.000918e+06 1.705625e+06 1.476332e+06 2.183241e+06 6.977819e+05 9.842839e+05 9.225045e+05 8.314708e+05 6.331359e+05 1.250416e+06 5.854853e+05 8.701230e+05 7.305462e+05 4.452313e+05 9.109115e+05 1.058992e+06 1.333217e+06 9.564654e+05 1.192064e+06 1.560050e+06 1.000028e+06 1.046936e+06 8.853903e+05 1.356469e+06 9.602154e+05 1.812198e+06 1.304226e+06 7.073738e+05 1.863970e+06 9.214579e+05 9.686560e+05 7.063979e+05 1.745704e+06 2.422145e+06 6.103146e+05 2.021123e+06 1.139871e+06 9.622599e+05 9.414484e+05 1.462207e+06 9.467484e+05 1.936493e+06 2.292273e+06 8.398801e+05 1.351523e+06 2.063755e+06 2.203662e+06 7.556961e+05 8.578380e+05 1.005927e+06 9.957600e+05 1.400590e+06 8.747150e+05 1.750614e+06 1.213383e+06 1.019688e+06 1.114134e+06 8.262030e+05 9.488141e+05 1.479635e+06 9.048733e+05 1.938385e+06 1.046230e+06 1.277403e+06 1.078468e+06 1.150200e+06 8.184619e+05 9.549760e+05 1.340446e+06 1.766624e+06 1.433347e+06 9.836216e+05 9.329312e+05 1.569362e+06 8.735805e+05 1.192664e+06 1.586788e+06 9.767638e+05 1.539667e+06 2.199510e+06 1.021695e+06 1.962620e+06 1.051110e+06 1.325693e+06 9.396821e+05 1.538394e+06 1.241006e+06 1.909112e+06 2.051437e+06 1.835761e+06 1.579751e+06 1.973436e+06 1.138476e+06 1.190523e+06 1.976248e+06 9.703708e+05 8.872106e+05 1.127144e+06 7.171487e+05 2.855819e+06 7.917413e+05 8.270626e+05 7.789131e+05 5.725524e+05 9.077213e+05 1.697904e+06 1.834994e+06 Cyanohydroxy butene_1.877 4.002517e+04 7.018983e+06 6.327744e+06 6.867450e+06 7.952930e+04 4.705066e+06 6.912797e+06 7.087583e+06 53537.90 5.867472e+06 6.704982e+06 7.668357e+06 58108.43 5.637850e+06 5.983702e+06 6.874391e+06 4.243842e+04 5.974113e+06 6.104172e+06 6.670239e+06 9.386228e+04 5.290276e+06 6.956323e+06 8.270926e+06 154051.934 6.126514e+06 5.917687e+06 6.508518e+06 7.806484e+04 5.049488e+06 6.684292e+06 7.837757e+06 100995.56 5.901514e+06 6.028479e+06 6.861147e+06 1.398906e+05 5.639819e+06 6.766864e+06 6.482346e+06 7.181763e+04 6.065529e+06 6.517184e+06 7.984850e+06 3.475526e+04 4.809420e+06 7.206986e+06 5.964433e+06 1.313089e+06 5.284613e+06 5.146690e+06 8.743372e+06 4.802015e+06 5.018780e+06 9.573522e+06 5.357392e+06 7.803865e+06 6.951867e+06 1.123528e+07 8.192292e+06 1.175997e+07 5.584987e+06 1.596143e+07 8.904160e+06 9.117499e+06 5.550390e+06 6.109508e+06 6.753933e+06 7.130989e+06 6.803724e+06 1.101084e+07 7.103685e+06 9.067826e+06 1.007115e+07 7.465695e+06 4.762967e+06 5.230493e+06 4.956884e+06 6.774363e+04 6.114443e+06 5.265000e+06 6.458249e+06 4.551191e+06 7.205949e+06 5.008032e+06 3.568794e+06 2.742746e+06 2.273001e+06 2.799024e+06 3.815949e+06 7.409459e+06 5.911351e+06 9.053731e+06 4.607619e+06 4.611307e+06 5.585419e+06 5.008145e+06 2.700362e+06 4.459605e+06 4.386876e+06 5.659562e+06 5.782732e+06 2.133401e+06 5.014104e+06 4.119584e+06 3.847055e+06 3.417181e+06 5.157983e+06 6.869572e+06 4.159635e+06 5.174971e+06 9.419986e+06 5.156664e+06 3.145864e+06 5.439385e+06 3.904579e+06 4.747961e+06 3.824750e+06 3.964515e+06 5.621029e+06 2.376296e+06 3.960171e+06 3.025699e+06 8.509234e+04 3.486793e+06 2.799188e+06 7.838116e+06 1.739593e+06 5.203453e+06 7.338855e+06 7.287759e+06 9.705942e+04 5.037526e+06 6.262032e+06 4.132940e+06 4.576657e+06 6.198460e+06 6.622134e+06 5.334733e+06 8.104181e+06 5.842996e+06 5.739371e+05 6.860729e+06 4.911707e+06 5.829332e+06 6.063934e+06 5.757523e+06 7.247175e+06 1.566861e+05 1.272250e+07 8.568542e+06 1.000740e+07 5.538823e+06 1.020622e+07 4.149743e+06 6.228869e+06 1.614925e+07 9.890001e+06 8.973386e+06 4.284229e+06 2.628576e+06 7.757439e+06 4.878887e+06 4.763157e+06 8.192610e+06 5.015018e+06 4.361753e+06 6.579048e+06 5.363989e+06 5.836494e+06 5.381900e+06 6.853101e+06 6.744205e+06 6.641889e+06 7.464172e+06 5.177170e+06 7.679867e+06 6.466334e+06 1.479237e+07 1.079059e+07 7.784654e+06 5.855944e+05 6.185251e+06 7.638407e+06 1.286312e+06 6.814573e+06 1.106785e+07 4.728476e+06 9.392634e+06 6.214968e+06 9.425103e+06 1.028681e+06 2.280951e+06 1.056506e+07 2.336482e+06 1.003758e+07 1.086751e+06 1.516848e+06 7.754320e+06 5.134320e+06 1.233389e+07 9.576853e+06 7.749924e+06 7.376522e+06 7.439633e+06 4.557478e+06 1.048584e+07 7.896453e+06 9.484822e+06 1.044040e+07 6.448851e+06 8.445048e+06 6.523230e+06 9.201675e+06 1.443860e+06 1.057642e+07 2.907832e+06 1.526802e+07 9.449139e+06 1.095003e+07 9.423145e+06 7.528232e+06 7.333338e+06 1.025631e+07 1.286464e+07 7.014723e+05 1.481974e+07 4.361630e+06 1.481584e+07 1.186211e+07 1.254565e+07 1.270771e+06 1.583413e+06 9.824074e+06 8.090189e+06 8.636524e+06 1.079638e+07 1.211120e+06 9.836612e+06 6.463540e+06 7.495382e+06 5.524573e+06 4.985371e+06 7.442547e+06 5.344061e+06 8.915134e+06 8.432758e+06 5.068033e+06 4.825869e+06 1.115594e+07 7.501981e+06 8.437661e+06 6.167887e+06 9.795372e+06 1.718869e+07 3.859899e+06 7.013741e+06 5.758185e+06 2.632927e+05 1.324771e+05 6.233909e+06 3.619982e+06 C8 H28 N9 P_1.878 1.464105e+04 7.752891e+05 1.011305e+06 1.978836e+06 2.530030e+04 6.732228e+05 8.953218e+05 9.416727e+05 36534.96 9.271879e+05 8.247657e+05 1.617474e+06 40331.72 1.029569e+06 1.048737e+06 1.074403e+06 4.421106e+04 1.023212e+06 9.588023e+05 1.103243e+06 1.143472e+05 9.452774e+05 1.362464e+06 9.178547e+05 71789.632 1.083073e+06 9.111019e+05 9.005443e+05 7.332013e+04 1.360903e+06 1.115616e+06 1.147108e+06 79905.33 1.011391e+06 7.882924e+05 1.053844e+06 6.746225e+04 1.201760e+06 1.079772e+06 9.972718e+05 5.430859e+04 1.107883e+06 1.177217e+06 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3.247578e+06 7.057046e+05 2.480205e+06 1.986221e+06 3.460262e+06 5.296402e+05 5.860133e+05 6.929286e+05 6.524503e+05 8.303860e+05 1.640035e+05 1.408339e+06 1.040081e+06 6.661086e+05 7.062962e+05 6.459189e+05 1.038192e+06 4.916466e+05 1.012770e+06 2.548950e+06 1.255687e+06 1.382019e+06 4.780549e+05 1.121878e+06 8.073778e+05 2.657740e+05 7.169755e+05 8.258419e+05 1.275841e+06 9.940689e+05 9.450277e+05 8.580462e+05 5.482386e+05 6.870786e+05 1.360497e+06 9.887538e+05 6.722649e+05 1.051682e+06 9.512667e+05 1.184703e+06 6.334426e+05 4.867749e+05 4.377019e+05 9.820352e+05 7.267992e+05 1.211939e+06 9.173873e+05 8.679845e+05 9.952087e+05 9.893828e+05 8.445233e+05 1.036971e+06 1.412194e+06 9.534704e+05 7.009944e+05 8.568846e+05 5.161716e+05 1.264662e+06 3.373633e+05 2.936645e+05 5.422978e+05 5.283707e+05 1.073186e+06 1.177689e+06 8.396919e+05 C11 H24 O5_1.879 1.063047e+05 9.534277e+06 1.139954e+07 1.405803e+07 1.273213e+05 6.685873e+06 1.093819e+07 1.085492e+07 112733.38 1.083714e+07 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1.103442e+07 6.961335e+06 5.418233e+06 6.148894e+06 5.489922e+06 6.333703e+06 8.578832e+06 5.291034e+06 9.101294e+06 7.364480e+06 1.278606e+07 1.207310e+07 9.885121e+06 1.376259e+07 1.358459e+07 1.343635e+07 2.657407e+07 7.755080e+06 6.414622e+06 2.747118e+07 4.580083e+06 7.644040e+06 8.445095e+06 6.575142e+06 2.460145e+07 8.988587e+06 3.076645e+07 1.197807e+07 5.135415e+06 7.894384e+06 3.355993e+07 4.581597e+06 2.845450e+07 2.885538e+07 6.292517e+06 2.705088e+07 2.973421e+07 3.185142e+07 5.941366e+06 9.010471e+06 9.424663e+06 7.084801e+06 9.839568e+06 3.251938e+06 1.303647e+07 1.168052e+07 5.165133e+06 8.580414e+06 6.643871e+06 1.119917e+07 5.875320e+06 1.135989e+07 3.886889e+07 1.059779e+07 1.340194e+07 6.696110e+06 1.296262e+07 9.462698e+06 3.758555e+06 8.143507e+06 8.675625e+06 1.486020e+07 9.028928e+06 8.568409e+06 9.026134e+06 7.262526e+06 8.029489e+06 1.595008e+07 1.091584e+07 7.238807e+06 1.040392e+07 1.090706e+07 1.501253e+07 9.666954e+06 8.856771e+06 5.810934e+06 1.196093e+07 9.993302e+06 1.174102e+07 1.132771e+07 1.006026e+07 1.174714e+07 1.049671e+07 7.996254e+06 1.007148e+07 1.410535e+07 1.095693e+07 7.415220e+06 9.509530e+06 6.890268e+06 1.403162e+07 3.487036e+06 4.851562e+06 4.955300e+06 5.762494e+06 9.383930e+06 1.085048e+07 1.050024e+07 C43 H65 N3 O3 S_1.881 3.626661e+04 1.055090e+06 1.657112e+06 1.312898e+06 5.320852e+04 7.357495e+05 1.446732e+06 1.305578e+06 46118.89 1.145301e+06 1.310977e+06 1.339322e+06 42727.70 1.027760e+06 1.256209e+06 1.406491e+06 4.147440e+04 1.160022e+06 9.885509e+05 1.308336e+06 9.037652e+04 1.155295e+06 1.481731e+06 1.306014e+06 61287.446 1.201229e+06 1.146502e+06 1.071730e+06 7.131654e+04 1.333888e+06 1.232352e+06 1.271284e+06 73549.44 1.222535e+06 1.127455e+06 1.479366e+06 7.638460e+04 1.217853e+06 1.101300e+06 1.263531e+06 6.366574e+04 1.224931e+06 1.355891e+06 1.304055e+06 3.300082e+04 9.509639e+05 1.322797e+06 1.260762e+06 9.199429e+05 1.184749e+06 5.039275e+05 7.678835e+05 4.408545e+05 8.502613e+05 6.866883e+05 9.612658e+05 7.409449e+05 7.447153e+05 9.788990e+05 1.520670e+06 1.161795e+06 7.240785e+05 9.969547e+05 9.393588e+05 9.617768e+05 1.150877e+06 1.540797e+06 6.372267e+05 8.105105e+05 7.190011e+05 1.195615e+06 1.139173e+06 1.254371e+06 1.134037e+06 9.179197e+05 1.064814e+06 1.667247e+06 1.080393e+06 2.596783e+05 1.088052e+06 1.242926e+06 1.037352e+06 9.322228e+05 1.385683e+06 7.446291e+05 1.542967e+06 8.823048e+05 4.898728e+05 9.562141e+05 1.249514e+06 1.525761e+06 1.363781e+06 1.568948e+06 9.150347e+05 1.471127e+06 1.277687e+06 1.772318e+06 8.077902e+05 1.229885e+06 9.348672e+05 5.841732e+05 1.515575e+06 6.776456e+05 9.610254e+05 9.504809e+05 1.183598e+06 7.285096e+05 1.051165e+06 6.163750e+05 7.620142e+05 1.196260e+06 1.773199e+06 1.370610e+06 1.319348e+06 1.729486e+06 8.706892e+05 1.768146e+06 1.186927e+06 9.612658e+05 1.063536e+06 8.151615e+05 9.005986e+05 5.974372e+05 1.248958e+06 1.270567e+06 9.710500e+05 1.775746e+06 1.017943e+06 1.182771e+06 1.482458e+06 1.103316e+06 7.789761e+04 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1.356504e+06 1.030530e+06 1.014752e+06 8.808765e+05 1.345272e+06 1.563311e+06 1.537937e+06 1.781803e+06 2.015856e+06 1.824018e+06 1.348422e+06 1.746589e+06 1.157250e+06 8.644522e+05 1.815414e+06 2.089899e+06 2.195925e+06 1.540871e+06 2.022265e+06 1.424671e+06 1.143767e+06 1.880752e+06 2.691042e+06 1.021740e+06 1.411603e+06 1.891909e+06 1.255819e+06 1.397953e+06 1.170363e+06 1.403655e+06 1.231350e+06 1.392883e+06 1.641784e+06 2.223359e+06 2.304552e+06 1.987784e+06 2.397906e+06 2.503133e+06 1.664180e+06 1.961278e+06 3.191754e+06 2.336923e+06 6.788894e+05 2.016378e+06 1.369538e+06 3.475945e+06 6.146972e+05 5.496015e+05 5.845890e+05 8.035202e+05 2.263305e+06 1.926252e+06 2.206969e+06 C12 H34 N9 O3 P_1.882 2.762166e+04 4.325135e+05 3.783545e+05 4.180621e+05 4.183690e+04 3.908858e+05 3.706017e+05 4.586106e+05 43212.74 4.381605e+05 3.427354e+05 5.148802e+05 44646.52 2.940597e+05 3.813833e+05 4.110716e+05 4.483195e+04 4.690950e+05 3.392008e+05 4.538684e+05 9.833984e+04 3.111009e+05 4.783114e+05 4.133719e+05 62953.914 3.616994e+05 4.594851e+05 3.945076e+05 8.510656e+04 4.004753e+05 4.436928e+05 5.701658e+05 89256.96 1.713509e+05 3.620409e+05 3.969024e+05 9.164590e+04 4.233829e+05 3.230161e+05 4.795778e+05 6.346060e+04 3.985608e+05 4.612628e+05 5.046147e+05 3.603267e+04 2.921597e+05 5.503388e+05 2.019990e+05 4.006214e+05 3.215189e+05 2.374557e+05 1.526171e+05 1.929662e+05 1.381228e+05 8.402426e+04 1.892761e+05 7.554520e+04 7.373915e+04 1.097439e+05 3.636150e+05 1.175617e+05 1.152620e+05 1.503261e+05 1.887474e+05 1.976885e+05 1.178047e+06 3.107061e+05 2.648603e+05 1.337293e+05 1.027699e+05 2.032537e+05 1.723904e+05 1.662152e+05 1.419231e+05 5.448578e+05 3.670564e+05 4.265443e+05 6.111798e+05 7.138630e+05 8.664336e+05 3.365322e+05 2.666430e+05 3.021577e+05 5.397504e+05 2.760068e+05 9.733513e+05 4.615064e+05 1.078607e+05 4.709272e+05 3.934660e+05 5.321626e+05 7.684990e+05 2.736577e+05 2.327802e+05 2.850916e+05 1.927141e+05 3.225704e+05 7.299583e+04 1.849720e+05 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9.063099e+04 1.382559e+05 1.503732e+05 2.156747e+05 1.580375e+06 6.406860e+05 1.578225e+05 1.549963e+06 2.054708e+05 2.275006e+05 2.186318e+05 2.942978e+05 1.251772e+06 4.516851e+05 1.833572e+06 4.280854e+05 1.499665e+05 3.604372e+05 2.376009e+06 2.077075e+05 1.580073e+06 1.417791e+06 3.084960e+05 1.772542e+06 1.369903e+06 2.209914e+06 1.569811e+05 4.153658e+05 6.728752e+05 3.477567e+05 4.946164e+05 1.085389e+05 1.084371e+06 7.620383e+05 1.203945e+05 2.138674e+05 3.841030e+05 4.242217e+05 3.085443e+05 5.943016e+05 3.691238e+06 3.756354e+05 5.255055e+05 1.916575e+05 5.020203e+05 3.455685e+05 1.437520e+05 2.950216e+05 3.994114e+05 5.865060e+05 2.946767e+05 3.071854e+05 5.466682e+05 1.974729e+05 2.356994e+05 8.418103e+05 3.950868e+05 2.035212e+05 3.633295e+05 3.227337e+05 7.649870e+05 2.618355e+05 2.488064e+05 2.107038e+05 1.121687e+06 4.291396e+05 5.691659e+05 5.893779e+05 6.009289e+05 9.296967e+05 6.532268e+05 4.934348e+05 7.417543e+05 1.169842e+06 8.545693e+05 2.231859e+05 5.373804e+05 2.353673e+05 1.366130e+06 2.068525e+05 2.890383e+05 1.030450e+05 2.334429e+05 4.881429e+05 4.674394e+05 6.247029e+05 C16 H34 O7_1.882 7.031414e+04 4.216266e+06 4.818058e+06 5.141079e+06 1.025168e+05 2.528191e+06 4.425300e+06 4.743315e+06 84064.13 4.007506e+06 4.233899e+06 4.965854e+06 73637.13 3.928064e+06 3.601552e+06 5.106911e+06 3.528684e+05 4.150097e+06 3.849288e+06 4.873535e+06 1.621606e+05 3.308850e+06 4.285023e+06 5.328178e+06 112133.350 4.149584e+06 4.072844e+06 3.835791e+06 1.477961e+05 4.187208e+06 4.321998e+06 4.906951e+06 148102.00 3.627129e+06 4.052592e+06 4.434261e+06 1.572058e+05 4.449666e+06 4.605604e+06 4.462130e+06 1.382336e+05 4.590402e+06 3.493818e+06 3.386596e+06 7.414118e+04 4.091693e+06 5.601687e+06 3.885548e+06 3.133334e+06 1.905490e+06 2.452903e+06 3.759681e+06 1.997647e+06 3.643119e+06 2.763361e+06 3.454195e+06 4.564588e+06 3.027484e+06 4.067503e+06 3.855910e+06 5.656270e+06 4.030680e+06 4.679069e+06 5.904007e+06 4.970273e+06 7.015180e+06 6.127840e+06 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3.564741e+06 1.547056e+06 4.271317e+06 3.697651e+06 4.959856e+06 4.323718e+06 4.267209e+06 3.223702e+06 2.863404e+06 3.110964e+06 4.310577e+06 4.819529e+06 2.761198e+06 4.262659e+06 4.019983e+06 6.078119e+06 3.853797e+06 3.281412e+06 2.534686e+06 1.133007e+07 4.166770e+06 5.628483e+06 3.339872e+06 3.494415e+06 5.702492e+06 5.748976e+06 3.667231e+06 5.575936e+06 7.031019e+06 3.852549e+06 3.378588e+06 4.779104e+06 3.351492e+06 1.020448e+07 1.642770e+06 2.065715e+06 2.524613e+06 2.265774e+06 4.186633e+06 2.479158e+06 5.635956e+06 C17 H33 N5 O3_1.882 3.530179e+04 3.002242e+06 3.599424e+06 3.893789e+06 5.184817e+04 1.842455e+06 3.220955e+06 3.432229e+06 44165.48 3.051382e+06 3.203594e+06 3.399022e+06 39700.76 3.002155e+06 2.801728e+06 3.441464e+06 3.987515e+04 3.207641e+06 2.912866e+06 3.487841e+06 8.644288e+04 2.521781e+06 3.236938e+06 3.687061e+06 58723.515 3.177882e+06 3.077402e+06 2.844128e+06 8.262815e+04 3.156011e+06 3.135949e+06 3.517173e+06 77910.65 2.781011e+06 2.962618e+06 3.199188e+06 8.023726e+04 3.441853e+06 3.083430e+06 2.890715e+06 6.250778e+04 2.899324e+06 3.611933e+06 3.645661e+06 3.142446e+04 2.576960e+06 3.657978e+06 2.673909e+06 2.078116e+06 2.699639e+06 1.587873e+06 2.562707e+06 1.559820e+06 2.682993e+06 2.075020e+06 2.678827e+06 3.384296e+06 2.167045e+06 3.084848e+06 3.016496e+06 4.327755e+06 2.617697e+06 3.701731e+06 4.269141e+06 3.478857e+06 4.416928e+06 4.177568e+06 2.848975e+06 3.308582e+06 3.284005e+06 4.993655e+06 4.005784e+06 4.498788e+06 4.480697e+06 3.464924e+06 3.375026e+06 3.962795e+06 3.347481e+06 5.837072e+06 4.634690e+06 3.222792e+06 2.949739e+06 2.647875e+06 3.802491e+06 2.407321e+06 4.094826e+06 2.815754e+06 1.519303e+06 3.046704e+06 3.263535e+06 5.316614e+06 3.786347e+06 3.540938e+06 2.893815e+06 4.001938e+06 3.488929e+06 5.294479e+06 1.291040e+06 2.665764e+06 2.718409e+06 2.128365e+06 4.386631e+06 1.214241e+06 3.349468e+06 3.561152e+06 3.485645e+06 2.661917e+06 3.769470e+06 1.899390e+06 1.561043e+06 2.909955e+06 5.314498e+06 4.062753e+06 2.193996e+06 2.348599e+06 1.543900e+06 2.683658e+06 2.119457e+06 1.827294e+06 3.257109e+06 1.509423e+06 1.562025e+06 1.293869e+06 2.442084e+06 2.089528e+06 2.113894e+06 3.801644e+06 1.760158e+06 2.015866e+06 2.298999e+06 2.832574e+06 4.248342e+06 1.884592e+06 3.447766e+06 2.553979e+06 2.743574e+06 3.675730e+06 3.825814e+06 2.602192e+06 3.940483e+06 1.359384e+06 4.956363e+06 4.224521e+06 1.027677e+06 1.839534e+06 2.550478e+06 2.207918e+06 2.644095e+06 3.829689e+06 4.623144e+06 4.057734e+06 5.159732e+06 3.831813e+06 2.511520e+06 2.706958e+06 1.924497e+06 4.554238e+06 3.961873e+06 5.095868e+06 2.516275e+06 3.044668e+06 2.504292e+06 1.528307e+06 1.934557e+06 3.410536e+06 1.910703e+06 1.521619e+06 1.835345e+06 1.947128e+06 1.985927e+06 2.421583e+06 1.652441e+06 2.716661e+06 2.197984e+06 3.584546e+06 3.443279e+06 3.450326e+06 3.819990e+06 3.417757e+06 3.487763e+06 8.040503e+06 2.655253e+06 2.067610e+06 8.101521e+06 2.026587e+06 2.410412e+06 2.153022e+06 2.055373e+06 7.723533e+06 2.888952e+06 7.249989e+06 3.227359e+06 1.570711e+06 2.786673e+06 1.086692e+07 1.626289e+06 7.334908e+06 9.674589e+06 1.843565e+06 7.612550e+06 8.844992e+06 9.594987e+06 1.987440e+06 2.225060e+06 2.792526e+06 1.933296e+06 2.880984e+06 1.313309e+06 4.554313e+06 4.124051e+06 1.589971e+06 2.653118e+06 2.088446e+06 3.328063e+06 2.000384e+06 3.297698e+06 9.706492e+06 3.774557e+06 3.284046e+06 2.308316e+06 3.587150e+06 2.599115e+06 1.168239e+06 2.489577e+06 2.776003e+06 3.816161e+06 2.820115e+06 2.532495e+06 2.388515e+06 2.008653e+06 2.211257e+06 3.935446e+06 3.731664e+06 2.098455e+06 3.157058e+06 2.938083e+06 4.410621e+06 2.939569e+06 2.469391e+06 1.786076e+06 5.720158e+06 3.050866e+06 3.649862e+06 4.015463e+06 2.737178e+06 3.683543e+06 3.880250e+06 2.740365e+06 3.672462e+06 4.695076e+06 2.809359e+06 2.643026e+06 3.228078e+06 2.438855e+06 6.332115e+06 1.203090e+06 1.498796e+06 1.880779e+06 1.677396e+06 2.884151e+06 3.195384e+06 3.807930e+06 "3,4-Methyleneazelaic acid_1.883" 1.441454e+05 1.618333e+07 1.317763e+07 1.303645e+07 1.125229e+05 3.508034e+06 1.224764e+07 1.445360e+07 76773.96 1.218692e+07 1.224811e+07 1.299501e+07 66239.28 1.199592e+07 1.057309e+07 1.329244e+07 1.685123e+05 1.294401e+07 1.315561e+07 1.390588e+07 1.684326e+05 3.160189e+06 1.407811e+07 1.474835e+07 112402.110 1.146507e+07 1.368273e+07 1.236864e+07 1.367992e+05 1.062667e+07 1.124358e+07 1.486527e+07 137376.79 9.265020e+06 1.356173e+07 1.231341e+07 1.492581e+05 1.063579e+07 1.185124e+07 1.303794e+07 1.231308e+05 1.117603e+07 1.343027e+07 1.918527e+07 7.056786e+04 2.829592e+06 1.617815e+07 9.753439e+06 7.871671e+06 6.767012e+06 6.417557e+06 1.085418e+07 7.554666e+06 8.330884e+06 8.269511e+06 9.759203e+06 1.046697e+07 1.084371e+07 9.266489e+06 7.546182e+06 1.236076e+07 1.141126e+07 9.565422e+06 8.031234e+06 9.413974e+06 7.710615e+06 1.251765e+07 9.084856e+06 1.019685e+07 1.016573e+07 1.413761e+07 1.470978e+07 2.016287e+07 1.171028e+07 7.971473e+06 7.094461e+06 8.906419e+06 1.148239e+07 2.291534e+07 8.526241e+06 7.845277e+06 8.095763e+06 5.081557e+06 8.150096e+06 7.295994e+06 9.306803e+06 6.152002e+06 4.416027e+06 8.219504e+06 9.756247e+06 1.107710e+07 7.457909e+06 1.007214e+07 8.405208e+06 1.200947e+07 8.921641e+06 1.130055e+07 7.468222e+06 1.276170e+07 2.569275e+06 9.999096e+06 8.942051e+06 5.908580e+06 9.405055e+06 8.722573e+06 1.137140e+07 7.277046e+06 1.006184e+07 4.304135e+06 4.976050e+06 5.957148e+06 1.669058e+07 2.978966e+06 6.189079e+06 8.973223e+06 6.773956e+06 1.165254e+07 7.806731e+06 5.432081e+06 8.073483e+06 3.942387e+06 4.258290e+06 4.630409e+06 5.045340e+07 5.648308e+06 7.351391e+06 1.361814e+07 5.751400e+06 8.049489e+06 6.593128e+06 8.184412e+06 2.085774e+06 9.768259e+06 6.991236e+06 7.505239e+06 9.195355e+06 1.374008e+07 9.970713e+06 6.943771e+06 9.245185e+06 5.969025e+06 2.035861e+07 9.450215e+06 6.491850e+06 9.619469e+06 1.160354e+07 7.817164e+06 1.087730e+07 1.088702e+08 1.433013e+07 1.199405e+07 1.144582e+07 8.773717e+06 8.450623e+06 1.078863e+07 1.068513e+07 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1.189447e+07 9.591269e+06 8.472283e+06 1.161022e+07 9.447082e+06 1.018509e+07 9.438308e+06 1.509219e+07 8.918101e+06 1.091880e+07 1.041209e+07 7.318472e+06 9.762815e+06 9.049025e+06 7.282714e+06 8.718121e+06 1.073845e+07 9.189601e+06 1.004197e+07 9.787822e+06 8.258058e+06 1.636837e+07 6.211417e+06 8.288249e+06 8.883866e+06 6.330531e+07 1.736924e+08 8.761891e+06 9.846577e+06 C17 H30 N3 O P S_1.883 5.240258e+04 7.727618e+05 8.925108e+05 8.862077e+05 7.506915e+04 4.724225e+05 9.145567e+05 9.110794e+05 58066.10 6.613848e+05 8.901935e+05 8.286371e+05 51470.84 7.407897e+05 6.641368e+05 8.436053e+05 5.624034e+04 8.228588e+05 7.421552e+05 8.374008e+05 1.072153e+05 6.774812e+05 8.890984e+05 9.543938e+05 74293.904 6.897549e+05 7.850440e+05 6.980580e+05 1.051326e+05 7.721542e+05 7.757906e+05 1.087396e+06 108031.83 5.597461e+05 8.309633e+05 7.899453e+05 1.064976e+05 7.405052e+05 7.999457e+05 9.276776e+05 8.214292e+04 5.397646e+05 8.448603e+05 9.311294e+05 3.848472e+04 7.290612e+05 8.870658e+05 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6.685309e+06 4.571059e+06 6.584374e+06 8.509723e+06 5.961962e+06 4.690140e+06 5.727090e+06 4.101987e+06 1.106846e+07 2.231233e+06 2.672640e+06 2.808869e+06 2.447982e+06 4.955843e+06 5.561133e+06 6.869464e+06 C25 H53 N O11_1.886 4.302915e+04 1.960257e+06 3.098875e+06 2.673145e+06 6.138459e+04 1.824277e+06 2.800404e+06 2.868329e+06 47165.68 2.177865e+06 2.626447e+06 2.763873e+06 41953.05 2.026390e+06 2.525492e+06 2.781229e+06 4.746395e+04 2.303546e+06 2.329921e+06 2.538747e+06 8.421844e+04 2.216220e+06 2.586655e+06 3.025675e+06 67496.044 2.632156e+06 1.806464e+06 2.555505e+06 9.238858e+04 2.434776e+06 2.591200e+06 2.899377e+06 80729.26 1.975419e+06 2.514135e+06 2.541903e+06 7.965635e+04 2.381133e+06 2.701335e+06 2.267128e+06 6.292153e+04 2.752271e+06 2.445617e+06 2.785285e+06 3.175024e+04 2.035729e+06 2.557207e+06 2.504667e+06 2.135459e+06 2.217680e+06 1.033463e+06 1.393443e+06 8.942195e+05 2.046504e+06 1.035516e+06 1.444120e+06 1.455048e+06 1.192086e+06 1.737672e+06 2.890269e+06 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9.348275e+05 9.963175e+05 1.112615e+06 C7 H10 O3_1.888 6.449286e+05 4.276466e+05 4.062493e+05 3.333991e+05 5.771248e+04 2.998617e+05 4.024525e+05 4.156570e+05 44750.34 4.048372e+05 3.651569e+05 4.006007e+05 46701.74 3.903281e+05 3.111506e+05 4.685295e+05 4.501965e+04 3.065065e+05 4.146871e+05 3.493060e+05 7.703784e+04 3.462760e+05 4.040777e+05 4.842307e+05 60718.871 3.121575e+05 4.127562e+05 3.304191e+05 1.217840e+05 3.606074e+05 4.287844e+05 4.347850e+05 127719.83 2.896316e+05 3.720245e+05 3.947588e+05 1.003248e+05 3.868592e+05 3.935542e+05 3.245981e+05 7.557814e+04 4.125954e+05 3.483267e+05 3.730713e+05 6.551404e+04 4.146632e+05 5.475670e+05 2.269279e+05 3.868892e+05 5.028596e+05 2.154510e+05 5.299125e+05 3.031201e+05 3.892317e+05 3.543123e+05 3.441053e+05 3.798099e+05 2.797843e+05 7.419524e+05 4.519015e+05 5.917936e+05 2.599741e+05 4.020015e+05 5.271644e+05 2.638586e+05 2.581819e+05 3.826816e+05 4.918149e+05 4.415506e+05 4.349650e+05 4.422365e+05 5.192914e+05 5.690170e+05 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3.623149e+05 3.576379e+05 3.574598e+05 4.011337e+05 5.768459e+05 3.319224e+05 5.039924e+05 4.264436e+05 1.808855e+05 3.992639e+05 2.180038e+05 3.549287e+05 3.712214e+05 4.587229e+05 2.668333e+05 4.830958e+05 4.021520e+05 3.320424e+05 2.826617e+05 2.920000e+05 3.493402e+05 3.813021e+05 3.654930e+05 3.055647e+05 4.298371e+05 3.788440e+05 3.403562e+05 4.016399e+05 2.625029e+05 2.705180e+05 3.578444e+05 3.875989e+05 1.196745e+05 3.222546e+05 3.041812e+05 C25 H45 O4 P_1.888 3.935049e+04 1.153654e+06 1.491651e+06 1.014018e+06 5.696384e+04 5.328085e+05 1.109005e+06 1.133777e+06 44530.85 1.106562e+06 1.038395e+06 1.319789e+06 39034.75 1.124354e+06 8.349226e+05 1.141337e+06 4.599531e+04 1.116291e+06 9.284495e+05 1.216571e+06 8.089792e+04 9.846266e+05 1.088402e+06 1.028310e+06 61296.590 1.216879e+06 1.096952e+06 8.788512e+05 7.944930e+04 1.248352e+06 1.127681e+06 1.151560e+06 73141.04 8.829593e+05 1.093503e+06 1.036151e+06 7.516193e+04 1.138313e+06 1.219790e+06 8.437691e+05 6.073487e+04 1.220197e+06 1.070589e+06 1.209938e+06 3.008261e+04 9.626139e+05 1.086232e+06 1.080163e+06 7.627537e+05 9.620059e+05 5.367643e+05 9.468827e+05 5.184897e+05 6.874952e+05 7.812337e+05 5.941262e+05 6.181714e+05 7.173680e+05 7.811618e+05 1.102158e+06 1.038289e+06 7.507870e+05 1.028507e+06 9.247231e+05 7.493256e+05 1.164614e+06 1.271469e+06 8.248745e+05 7.635024e+05 7.057598e+05 9.758181e+05 7.951103e+05 9.084502e+05 1.156331e+06 5.791508e+05 8.470539e+05 1.087649e+06 1.082349e+06 6.161886e+04 9.501680e+05 1.030032e+06 1.077800e+06 7.300805e+05 1.136934e+06 7.092226e+05 1.308888e+06 6.126822e+05 4.427247e+05 1.027632e+06 1.041119e+06 1.378011e+06 1.083417e+06 1.233045e+06 7.774415e+05 1.323565e+06 1.285599e+06 1.308070e+06 8.276734e+05 1.167183e+06 8.423648e+05 6.770660e+05 1.254769e+06 7.042603e+05 1.001541e+06 9.610141e+05 1.180723e+06 8.341473e+05 1.107700e+06 6.453813e+05 7.297124e+05 1.046897e+06 1.278406e+06 1.117672e+06 1.093708e+06 1.400145e+06 7.123865e+05 1.432872e+06 1.246349e+06 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4.835877e+05 1.183077e+06 1.531063e+06 6.165014e+05 1.168200e+06 1.313519e+06 1.497654e+06 1.070485e+06 1.024218e+06 9.474074e+05 1.030348e+06 1.032614e+06 6.241983e+05 1.509238e+06 1.031373e+06 1.070083e+06 1.058858e+06 7.688572e+05 1.006340e+06 1.496738e+06 1.092163e+06 1.659780e+06 1.576053e+06 1.590182e+06 1.355701e+06 1.039507e+06 9.401179e+05 1.020273e+06 1.592523e+06 2.035851e+06 1.508201e+06 1.718464e+06 1.851340e+06 1.577309e+06 1.308389e+06 1.476740e+06 1.252948e+06 1.254719e+06 1.482046e+06 1.400532e+06 1.435638e+06 1.362425e+06 7.844850e+05 7.939739e+05 1.565519e+06 1.292044e+06 1.786589e+06 2.234249e+06 1.827592e+06 1.736977e+06 1.953646e+06 2.154085e+06 1.483958e+06 1.681282e+06 2.355140e+06 1.818080e+06 6.881792e+05 1.848152e+06 1.006048e+06 2.108179e+06 4.793172e+05 5.372474e+05 4.843832e+05 7.576761e+05 1.982706e+06 1.903566e+06 1.549750e+06 C12 H14 O5_1.89 5.780794e+06 2.067318e+06 2.311684e+06 2.224877e+06 5.748222e+04 1.551849e+06 2.268141e+06 2.309359e+06 43713.06 2.034658e+06 2.200544e+06 2.459931e+06 38675.91 1.867015e+06 1.981374e+06 2.108373e+06 4.362873e+04 2.013503e+06 2.140474e+06 2.091537e+06 7.219544e+04 1.779328e+06 2.328055e+06 2.618490e+06 54346.603 1.954571e+06 2.159980e+06 1.901415e+06 7.721515e+04 1.866283e+06 2.181057e+06 2.583697e+06 62845.32 1.871158e+06 1.915085e+06 2.272280e+06 8.052137e+04 1.970683e+06 2.328847e+06 2.222957e+06 6.411732e+04 1.487117e+06 2.343595e+06 2.695050e+06 2.936144e+04 1.586060e+06 2.481687e+06 1.818865e+06 1.529292e+05 3.202025e+05 1.415248e+07 5.064974e+05 8.041720e+05 1.892871e+06 4.223852e+05 2.364206e+06 1.878821e+06 8.924452e+05 7.170788e+06 8.215528e+05 9.044106e+05 3.842947e+06 3.227587e+05 2.208937e+06 9.715844e+06 5.657220e+05 1.573167e+06 9.638999e+05 5.746757e+05 8.586842e+05 1.012955e+07 8.552265e+05 5.230504e+05 1.371970e+06 1.199799e+06 8.579847e+05 9.522863e+06 7.374740e+05 6.611108e+06 1.850735e+06 3.469329e+05 2.552180e+06 1.051488e+06 9.762171e+05 2.327693e+06 1.996907e+06 3.294148e+06 1.216636e+06 1.692872e+06 3.708418e+05 3.750802e+05 9.086765e+05 1.923702e+06 2.783293e+05 3.960356e+06 6.382316e+06 3.489697e+05 1.421493e+06 2.361187e+06 5.014906e+05 6.797610e+05 9.403496e+05 1.799987e+06 2.633969e+06 1.315784e+06 1.140235e+06 3.777442e+05 7.481129e+05 6.967142e+05 2.270140e+06 1.524132e+06 1.235295e+06 2.351801e+06 3.554677e+06 1.054266e+06 1.631250e+06 1.555498e+06 3.758492e+07 3.127538e+06 1.856849e+06 2.610313e+06 1.908413e+06 4.536158e+05 2.439190e+06 1.889426e+06 4.538459e+06 2.356439e+06 2.009133e+06 5.009022e+06 2.643347e+06 9.720867e+05 1.709601e+06 4.302740e+06 3.455733e+06 2.105942e+06 9.062454e+05 7.883526e+06 3.501389e+06 4.488871e+06 1.331138e+06 7.770930e+05 1.053054e+06 1.811730e+06 1.958691e+06 5.758891e+05 3.177251e+05 8.885134e+05 2.766701e+06 1.588891e+06 9.163703e+05 3.371991e+06 4.476735e+05 9.805814e+05 1.464533e+06 2.724795e+05 2.674122e+05 1.568702e+06 2.809441e+05 1.059716e+06 9.050704e+06 1.374556e+07 2.496343e+05 3.679180e+05 8.804882e+05 5.917547e+06 2.915372e+06 1.704438e+06 6.870692e+06 1.316771e+06 1.428692e+06 6.642679e+06 4.071979e+06 1.039036e+06 2.310075e+05 5.064491e+05 3.785593e+06 3.339989e+06 1.589678e+06 5.300864e+05 3.297707e+06 1.006988e+06 1.176038e+07 6.628604e+05 1.377100e+06 3.541227e+06 1.172658e+06 1.447477e+06 1.39