_____________________________________________________________________________ Model of ionization_potential _____________________________________________________________________________ Analysis of variance ------------------------------------------------------------------ Variation source df SS MS Statistics ------------------------------------------------------------------ Total (uncorrected) 7404 703571.4928226 F=444.1490089 Mean 1 663327.584544 rsquare=0.9803043 Total (corrected) 7403 40243.9082786 s=0.3450617 Regression 746 39451.2754055 52.8837472 Residual 6657 792.6328731 0.1190676 ------------------------------------------------------------------ Note: probability of significant F =<0.0001 Model coefficients and standard errors: parameter coefficient standard error t prob ------------------------------------------------------------------ intercept = 10.680976 0.0455471 234.504 <<0.00000001 Number of C atoms -0.15031259 0.0089857 16.728 <<0.00000001 Number of N atoms -0.47378886 0.0220932 21.445 <<0.00000001 Number of O atoms 0.30687049 0.0084651 36.2512 <<0.00000001 Number of S atoms -0.58683753 0.0415368 14.1281 9.80909E-45 Number of F atoms 0.31958503 0.0212274 15.0553 <<0.00000001 Number of O- atoms -6.8215804 0.18375 37.1243 <<0.00000001 Number of N+ atoms 3.5820875 0.13099 27.3464 <<0.00000001 Number of Cl atoms 0.11788841 0.0126971 9.28471 2.09206E-20 Number of Br atoms 0.11430333 0.0181445 6.2996 0.000000000315498 Number of S- atoms -11.413106 0.377176 30.2593 <<0.00000001 Number of P+ atoms 4.2198706 0.698571 6.04072 0.00000000160854 Number of N- atoms -6.9690804 0.416968 16.7137 <<0.00000001 Number of H+ atoms 7.0342522 0.529139 13.2938 7.18789E-40 Number of Br- atoms-8.8537951 0.369165 23.9833 <<0.00000001 Number of Cl- atoms-9.4895287 0.441715 21.4834 <<0.00000001 Number of P atoms -0.6527583 0.0752155 8.6785 4.87506E-18 Number of Si atoms -0.60494006 0.0447459 13.5195 3.68752E-41 Number of O+ atoms 6.2952404 0.345713 18.2094 <<0.00000001 Number of Mg++ atoms 9.459094 0.376576 25.1187 <<0.00000001 Number of Al+++ atoms -6.5324969 1.11384 5.86486 0.00000000468851 Number of Se atoms -0.34468478 0.0751976 4.58372 0.00000464268 Number of F- atoms -3.1266601 0.254831 12.2696 2.83664E-34 Number of Te atoms -2.5575759 0.348055 7.3482 2.22375E-13 Number of Sb--- atoms -20.626917 0.348055 59.2634 <<0.00000001 Number of As--- atoms -25.425226 0.348055 73.0495 <<0.00000001 Number of K atoms -1.9382279 0.158477 12.2304 4.55544E-34 Number of Bi+++ atoms 17.825483 0.348055 51.2146 <<0.00000001 Number of Na atoms -1.4039464 0.220113 6.3783 0.000000000189835 Number of Cd-- atoms -10.680976 0.348055 30.6876 <<0.00000001 Number of Cr atoms 72.465446 0.348027 208.218 <<0.00000001 Number of B- atoms -6.6961231 0.499394 13.4085 1.59765E-40 Number of Cl+ atoms-5.3157749 0.374286 14.2024 2.8026E-45 Number of Zn++ atoms -10.680976 0.348055 30.6876 <<0.00000001 Number of In+++ atoms -10.680976 0.348055 30.6876 <<0.00000001 Number of O-Cr(=O) pairs -15.902489 0.386457 41.1494 <<0.00000001 Number of K 8.8991728 0.254523 34.9641 <<0.00000001 Number of C(H)*C(OH)* pairs -0.58462173 0.0504065 11.5981 7.77234E-31 Number of C -10.538618 0.348197 30.2662 <<0.00000001 Number of O--S(=O)(=O) pairs 1.2776438 0.16569 7.71104 1.41096E-14 Number of C-(H)(OH)(CH3) 8.5123148 0.346036 24.5995 <<0.00000001 Number of C(H)(H)-C(H)(H)(CH3) pairs 0.64793772 0.0397223 16.3117 <<0.00000001 Number of H+ -18.147612 0.658902 27.5422 <<0.00000001 Number of Sb- atoms12.280425 0.534808 22.9623 <<0.00000001 Number of Cr(=O)(=O)(OH)(OH) 9.4620705 0.488065 19.3869 <<0.00000001 Number of consecutive carbons Squared 0.0037301937 0.000483214 7.71955 1.32056E-14 Number of C(H)!-C(CH3)(CH3)! pairs 0.44121617 0.0861276 5.12282 0.000000308602 Number of C(H)(H)!-C(H)(H)! pairs 0.17697465 0.0141172 12.5361 1.08925E-35 Number of C(H)!=N! pairs 0.53346813 0.0497763 10.7173 1.32205E-26 Number of C*-N(H) pairs -0.2685177 0.0156075 17.2044 <<0.00000001 Number of C(H)!=C(H)! pairs -0.58669889 0.0570635 10.2815 1.24959E-24 Number of C(H)*N* pairs 0.27804652 0.0288311 9.64398 7.00729E-22 Number of C(H)(H)-O pairs -0.047358524 0.00738524 6.41259 0.000000000151855 Number of C*C(OH)* pairs -0.30813268 0.0469258 6.56638 5.50367E-11 Number of C*-O! pairs -0.41162026 0.058813 6.99879 2.80783E-12 Number of C*-O pairs -0.44784343 0.056265 7.95954 1.98435E-15 Number of C!=N! pairs 0.42480746 0.0852755 4.98159 0.000000644928 Number of C(H)!-C(=O)! pairs 0.13279101 0.0239816 5.5372 0.0000000317875 Number of C(H)!=C(CH3)! pairs -0.29304945 0.0356861 8.21186 2.54841E-16 Number of C*C(F)* pairs -0.10900256 0.0215729 5.05275 0.000000445924 Number of C(H)(H)(CH3)-O pairs 0.45626637 0.0730974 6.24189 0.000000000456141 Number of C(H)*C(Cl)* pairs -0.17050101 0.0233558 7.30017 3.17312E-13 Number of C(=O)(CH3)-O pairs 0.087697506 0.0233633 3.75364 0.000175622 Number of C(=O)!-O! pairs 0.15516911 0.0264567 5.86501 0.00000000468424 Number of C!=C(CH3)! pairs -0.30927986 0.0291995 10.592 4.98373E-26 Number of C*-O(CH3) pairs -0.36436436 0.0410992 8.86548 9.42016E-19 Number of C(=O)(OH)-C(H)(NH2) pairs -0.76230121 0.0774823 9.8384 1.05953E-22 Number of C*-S(=O)(=O) pairs 0.61440194 0.0784404 7.83272 5.43964E-15 Number of C(#N)-C(OH)(CH3)(CH3) pairs 2.1163342 0.345412 6.12698 0.000000000941458 Number of C(H)*C(NH2)* pairs -0.41444007 0.0388128 10.6779 2.00956E-26 Number of C(H)(H)!-C(H)(CH3)! pairs 0.56471032 0.102885 5.48875 0.0000000418197 Number of C(F)(=O)(CH3) 1.3129621 0.346068 3.79395 0.000149453 Number of C(H)!-N(H)! pairs -0.1473105 0.0446179 3.3016 0.000965904 Number of C(H)(H)-C(H)(CH3)(CH3) pairs 1.0751047 0.130242 8.25468 1.78813E-16 Number of C(H)(H)-S(CH3) pairs -0.32298627 0.0771039 4.18897 0.0000283473 Number of C(H)(H)-C(H)(H)(NH2) pairs -0.37671137 0.102079 3.69041 0.000225503 Number of C*-N(H)! pairs -0.24596556 0.0320871 7.66557 2.0072E-14 Number of N!=N! pairs 1.3124291 0.199489 6.57895 0.000000000050606 Number of C(H)*C(NO2)* pairs 0.24722673 0.0167808 14.7327 <<0.00000001 Number of O--Na+ pairs 5.7318687 0.198176 28.9231 <<0.00000001 Number of C(H)*N+(=O)* pairs -0.40604818 0.173618 2.33875 0.0193749 Number of C(Cl)*C(NH2)* pairs -0.30754209 0.0537794 5.71859 0.0000000111596 Number of C(H)-C(#N) pairs 0.45383605 0.0867824 5.22959 0.000000174542 Number of C(=O)!-N(H)! pairs 0.13951728 0.0140452 9.93342 4.15338E-23 Number of C(H)!-N* pairs -0.20948718 0.0536285 3.90627 0.0000945674 Number of C*C(NH2)* pairs -0.40640637 0.0360826 11.2632 3.44064E-29 Number of C(OH)*C(OH)* pairs -0.32327029 0.0415652 7.77744 8.4026E-15 Number of C*S* pairs -0.36961076 0.0381674 9.68395 4.76624E-22 Number of C(=O)-C(H)(H)(CH3) pairs 0.15361004 0.0509075 3.01743 0.00255793 Number of C(H)(CH3)-C(H)(H)(CH3) pairs 1.3029068 0.209743 6.21191 0.000000000551772 Number of C(H)-C(H)(H)(OH) pairs -0.14136331 0.0443517 3.18732 0.00144193 Number of C!-N* pairs 73.198059 12.4465 5.88103 0.00000000425464 Number of N+(H)(H)(H)(H) 1.4963475 0.27199 5.50149 0.0000000389183 Number of Al(Br)(Br)(Br) 3.6893733 0.356796 10.3403 6.83701E-25 Number of O(NO2)-Al pairs 0.64506006 0.120586 5.34937 0.0000000909011 Number of C(H)(H)-C(CH3)(CH3)(CH3) pairs 0.9397403 0.263367 3.56818 0.000361747 Number of C*-C(#N) pairs 0.84242225 0.112035 7.5193 6.15466E-14 Number of C(OH)*C(Cl)* pairs -0.29866716 0.0503374 5.9333 0.0000000031028 Number of C(OH)*C(CH3)* pairs -0.2145216 0.0502386 4.27005 0.0000197868 Number of C(H)(H)!-C(H)(NO2)! pairs 0.7218833 0.155155 4.65265 0.00000333386 Number of C(Cl)*C(Cl)* pairs -0.21472326 0.0225927 9.50411 2.66787E-21 Number of C(H)(H)-N+(CH3)(CH3) pairs 1.132924 0.211676 5.35217 0.0000000895131 Number of H(=O) 2.1340175 0.378973 5.63106 0.0000000185663 Number of Hg(Cl)(Cl) -17.544886 1.56371 11.2201 5.56492E-29 Number of N(=O)(=O)1.3840901 0.235403 5.87966 0.00000000428974 Number of O--S(=O) pairs -0.44608709 0.163222 2.733 0.00629086 Number of O!-Te(H)(Cl)(Cl)(Cl)! pairs -8.8235159 0.834778 10.5699 6.28456E-26 Number of C(H)(H)-C(H)(H)(NO2) pairs 1.5066378 0.132836 11.3421 1.4225E-29 Number of C(#N)-C(CH3)(CH3) pairs 0.51554215 0.119606 4.31033 0.0000165118 Number of C*O+* pairs -2.7367918 0.402775 6.79484 1.16855E-11 Number of C(OH)!-C(=O)! pairs -0.74094045 0.143183 5.17478 0.000000234172 Number of C*S+* pairs 7.3057337 0.649052 11.256 3.72866E-29 Number of C(CH3)!-C(CH3)(CH3)! pairs 0.25254431 0.0848153 2.97758 0.00291474 Number of C-*C(F)* pairs -2.9670889 0.404006 7.34417 2.29125E-13 Number of C(H)-N(CH3)(CH3) pairs -0.36302635 0.0897387 4.04537 0.0000527709 Number of C-C(#N) pairs 1.0836921 0.189588 5.71604 0.000000011327 Number of O--K+ pairs 1.1661466 0.514996 2.26438 0.0235795 Number of B(OH)(OH)(OH) 1.3869613 0.350925 3.95231 0.0000781221 Number of B-O(NO2) pairs 0.75574571 0.119906 6.30281 0.000000000309058 Number of B!-O* pairs 0.8209396 0.117754 6.97163 3.40295E-12 Number of B(Cl)(Cl)(Cl) 1.627165 0.352546 4.61547 0.00000398812 Number of B(F)(F)(F) 3.7056108 0.355339 10.4284 2.7522E-25 Number of B(=O)!-B(=O)! pairs 2.6445348 0.361421 7.31705 2.80114E-13 Number of C(H)(H)-P(=O)(OH) pairs -1.1058434 0.471897 2.3434 0.0191352 Number of C(H)(OH)-C(H)(H)(CH3) pairs 0.38812611 0.090382 4.29428 0.0000177496 Number of C!-N(CH3) pairs 2.1537657 0.483212 4.45719 0.0000084266 Number of C(#N)-C(H)(CH3) pairs 1.832652 0.245176 7.47485 8.61583E-14 Number of O-Cd pairs 0.91908354 0.17486 5.25612 0.000000151235 Number of Se=Cd pairs -2.9880912 0.354771 8.42258 4.38096E-17 Number of Cd(=S) -2.6427283 0.348695 7.57891 3.90813E-14 Number of C(H)(H)-O(NO2) pairs 0.99346244 0.216916 4.57994 0.00000472718 Number of C(H)(H)-N+(H)(H) pairs -22.271948 3.56627 6.24517 0.000000000446728 Number of C(H)-N+(H)(H) pairs 11.533044 1.2381 9.31512 1.5769E-20 Number of C(H)(=O)-N(H) pairs -0.45525536 0.192504 2.36492 0.0180598 Number of O--P(=O) pairs -5.9995537 0.578043 10.3791 4.58407E-25 Number of C(H)*N+(CH3)* pairs -15.171152 2.30156 6.59168 4.64746E-11 Number of C(H)(H)!-N(NO2)! pairs 1.9326907 0.534308 3.61718 0.00029981 Number of C(H)(H)(CH3)-N+ pairs 0.72075427 0.085696 8.41059 4.8482E-17 Number of C(H)(F)-C(F)(F)(F) pairs 1.628118 0.201818 8.06725 8.3244E-16 Number of C(H)(F)(F)(CH3) 2.0748425 0.347476 5.97118 0.00000000246422 Number of C(H)(H)(F)-C(H)(H)(F) pairs 1.5608524 0.347476 4.49197 0.00000716373 Number of C(H)-N(H)(CH3) pairs -0.25008613 0.0963943 2.59441 0.00949409 Number of B(H)(H)(H)(CH3)! -12.500972 1.11725 11.189 7.85238E-29 Number of C(OH)(CH3)-C(H)(H)(CH3) pairs 0.61060685 0.131029 4.66009 0.00000321604 Number of C(H)(CH3)(NO2)(NO2) 2.2307706 0.346467 6.43863 0.000000000128089 Number of O(NO2)(NO2) 1.9030948 0.348987 5.4532 0.0000000510668 Number of C(H)(H)(NO2)(NO2) 2.139159 0.346899 6.16652 0.000000000734742 Number of O-As(=O)(OH) pairs -33.189217 2.73274 12.145 1.2713E-33 Number of N+*-O- pairs -53.949791 5.19569 10.3836 4.37693E-25 Number of C*-S(=O)(=O)(=O) pairs -2.2781863 0.544956 4.1805 0.0000294224 Number of C(H)(H)(H)(CH3) 1.7898467 0.345927 5.17405 0.000000235086 Number of C(CH3)*O* pairs -0.40241542 0.096779 4.15809 0.0000324544 Number of C(OH)*C-(H)(OH)* pairs -17.015844 2.11449 8.04727 9.78831E-16 Number of C(H)-C(H)(H)(F) pairs 12.954819 1.77678 7.29118 3.39076E-13 Number of F(F) 3.0555766 0.349791 8.73544 2.96564E-18 Number of C(H)(H)(F)(CH3) 1.5964731 0.346219 4.61117 0.00000407138 Number of C(H)(F)(F)(F) 3.1410444 0.350187 8.96962 3.71649E-19 Number of C(H)(H)(=O) 20.141024 1.31268 15.3434 <<0.00000001 Number of O*-Ga! pairs 0.65058702 0.118877 5.47277 0.000000045755 Number of Ge(H)(H)(H)(H) 1.6198374 0.348051 4.65403 0.00000331173 Number of Ge(F)(F)(F)(F) 3.6979239 0.355419 10.4044 3.5282E-25 Number of C(H)(H)-C(=O)(=O) pairs 1.7536063 0.346432 5.06191 0.000000425082 Number of C(H)(OH)-C(F)(F)(F) pairs 0.60070693 0.178574 3.36391 0.000772358 Number of C*N+(CH3)* pairs 15.609167 2.26354 6.89591 5.79317E-12 Number of C*-C(=O)(=O) pairs -4.53332 0.363472 12.4723 2.39249E-35 Number of C(H)(CH3)(CH3)(CH3) 1.6908041 0.244876 6.90473 5.44675E-12 Number of C(#N)-C(H)(CH3)(CH3) pairs 2.5197875 0.345551 7.29208 3.36815E-13 Number of C(H)!-O(NO2) pairs 0.70867759 0.157141 4.50982 0.00000658834 Number of C-!-C(=O) pairs -6.3956847 0.374764 17.0659 <<0.00000001 Number of Na+ 4.1027932 0.189163 21.6892 <<0.00000001 Number of C(=S)-S- pairs 15.68327 1.04459 15.0139 <<0.00000001 Number of K+ 8.5578375 0.751337 11.3901 8.28347E-30 Number of C!=C(H)! pairs -0.28092313 0.0225876 12.4371 3.68632E-35 Number of C*-N! pairs -0.23447275 0.0351414 6.67226 2.70052E-11 Number of C(H)(H)-C(H)(H) pairs 0.11432061 0.0145526 7.85566 4.53783E-15 Number of C*N* pairs 0.10240685 0.0206099 4.96881 0.000000688754 Number of C*-C(=O) pairs 0.08303839 0.0161126 5.15364 0.000000262082 Number of C!-C(#N) pairs 0.79962033 0.17797 4.49301 0.00000712902 Number of C(H)!-O pairs -0.1011669 0.0283531 3.56811 0.00036184 Number of C(H)(H)-S- pairs 12.86577 1.26267 10.1893 3.19612E-24 Number of N(H)-S(=O)(=O) pairs 0.1520531 0.045046 3.37551 0.00074059 Number of O!-O! pairs 0.67466658 0.26404 2.55516 0.0106336 Number of C*-N(CH3)(CH3) pairs -0.26264542 0.0571082 4.59909 0.00000431402 Number of C(Cl)!=C(Cl)! pairs -0.53993046 0.0655294 8.23951 2.02762E-16 Number of C(H)-S(=O)(=O) pairs -3.7532172 0.490737 7.64812 2.29667E-14 Number of C-C! pairs 0.60162276 0.127075 4.7344 0.0000022379 Number of C*-S(=O)(=O)(NH2) pairs 0.87354255 0.141642 6.16724 0.000000000731425 Number of Al- atoms-5.2835717 0.386128 13.6835 4.13383E-42 Number of O-Si(=O) pairs -0.4966462 0.178365 2.78443 0.00537573 Number of C!=C(H) pairs -0.15524274 0.0629446 2.46634 0.0136726 Number of O--S(=O)(OH) pairs -1.4055988 0.369487 3.80419 0.000143415 Number of C(=O)-C(H)(CH3)(CH3) pairs 0.2230849 0.0697083 3.20026 0.00137881 Number of C(H)(H)!-As! pairs -0.33120909 0.0576834 5.74185 0.0000000097354 Number of C(H)(H)-C(OH)(CH3)(CH3) pairs 0.61093658 0.136196 4.48571 0.00000737686 Number of C!-N-! pairs -12.69472 0.934217 13.5886 1.46996E-41 Number of B(H)(H)(H) 1.5049428 0.351168 4.28554 0.0000184607 Number of C(H)(H)(OH)-N(CH3) pairs -3.3576593 0.512569 6.55064 6.11252E-11 Number of C(H)(H)(CH3)-C(H)(H)(CH3) pairs 1.455739 0.345686 4.21115 0.0000257079 Number of C(H)(H)-S+(=O) pairs 5.960989 0.430582 13.844 4.73639E-43 Number of C(=O)-S(=O)(=O) pairs -4.4410367 1.02586 4.32908 0.0000151708 Number of C(F)*N* pairs 0.3223967 0.0535084 6.02516 0.00000000177034 Number of C(H)(H)-N+ pairs -0.86840081 0.192535 4.51035 0.00000657195 Number of C(H)(H)(CH3)-C(CH3)(CH3)(CH3) pairs 1.8090618 0.345698 5.23307 0.000000171297 Number of C(H)(CH3)(CH3)-C(H)(CH3)(CH3) pairs 1.6530795 0.345746 4.78119 0.00000177624 Number of C*-As(=O)(OH) pairs 33.043346 2.67984 12.3303 1.35703E-34 Number of C(F)(F)-C(F)(F)(F) pairs 0.79213506 0.133693 5.92503 0.00000000326225 Number of C(H)(H)(OH)-N(H) pairs -1.7082528 0.500742 3.41144 0.000649653 Number of C(H)(CH3)(CH3)-C(CH3)(CH3)(CH3) pairs 1.7152143 0.345801 4.96011 0.000000720215 Number of C(H)!-C(H)(H)! pairs 0.077430084 0.0129342 5.98648 0.00000000224437 Number of C(H)(H)-S+(CH3)(CH3) pairs 10.594395 0.781872 13.55 2.4569E-41 Number of C*C* pairs -0.139184 0.0171482 8.11653 5.57394E-16 Number of C(F)(F)-C(H)(H) pairs -1.2906187 0.289962 4.45098 0.00000867294 Number of C(H)(H)!-C(CH3)(CH3)! pairs 0.14869587 0.030796 4.82841 0.00000140389 Number of C*C(Cl)* pairs -0.14659856 0.0179022 8.18887 3.08027E-16 Number of C(H)-C(F)(F)(F) pairs 0.67000991 0.134913 4.96622 0.000000697973 Number of C(H)-C(H)! pairs -0.20629145 0.0567788 3.63325 0.000281772 Number of C!=C(OH)! pairs -0.87092841 0.232085 3.75262 0.000176334 Number of C*-S(=O)(=O)! pairs 0.5583415 0.108705 5.13632 0.000000287316 Number of S-(H) 21.277407 1.76668 12.0437 4.26244E-33 Number of C(OH)*C(=O)* pairs -0.55730218 0.111851 4.98255 0.000000641748 Number of C*-N(H)(CH3) pairs -0.54688436 0.128746 4.24777 0.0000218554 Number of C(=O)-C(OH)(CH3) pairs 4.884346 0.518317 9.42348 5.71722E-21 Number of C(H)(H)(Br)-C(H)(H)(Br) pairs 0.81997806 0.247442 3.31382 0.000924722 Number of C!-C(H)(F)! pairs 0.47156811 0.127638 3.69458 0.000221836 Number of C(H)(CH3)-C(H)(CH3)(CH3) pairs 1.1801341 0.221083 5.33796 0.0000000967859 Number of C(H)(OH)(CH3)(CH3) 0.73531437 0.244754 3.0043 0.00267082 Number of C(=S)(NH2)-S- pairs 22.168894 2.06483 10.7364 1.07886E-26 Number of C(#N)-S- pairs 14.685534 1.4603 10.0565 1.21938E-23 Number of C(H)-C(CH3) pairs -0.16305789 0.0433309 3.76309 0.000169124 Number of C(CH3)!=N! pairs 0.1673919 0.0454481 3.68315 0.000232014 Number of C(CH3)(CH3)-C(H)(H)(CH3) pairs 1.1503251 0.170977 6.72797 1.84879E-11 Number of C(OH)*C(Br)* pairs -0.25511929 0.050327 5.06923 0.000000409103 Number of C(H)(H)-N+(CH3)(CH3)(CH3) pairs 1.4101808 0.286708 4.91853 0.000000890774 Number of C(H)-N+(H)(H)(H) pairs 2.3371332 0.512805 4.55754 0.00000525858 Number of C(#N)-S pairs 0.49242598 0.100346 4.90727 0.000000943265 Number of C(H)(H)!-N+! pairs -0.38343781 0.082368 4.65518 0.00000329339 Number of C(H)*N+* pairs 24.38343 1.92936 12.6381 3.07666E-36 Number of C(H)-O pairs -0.26769224 0.0812907 3.29302 0.000995814 Number of H(F)_salt3.480268 0.522946 6.65513 0.000000000030326 Number of C=C* pairs 9.8445711 2.34012 4.20687 0.0000261986 Number of N=N+ pairs 4.1899757 0.667385 6.2782 0.000000000361841 Number of N+(H)(H)(H)(OH) 2.4250686 0.44173 5.48994 0.0000000415401 Number of C(H)!-C(H)(H) pairs -0.076862544 0.0214401 3.58498 0.000339271 Number of C(H)(H)-N+(H)(H)(H) pairs 2.5744226 0.54197 4.75012 0.00000207124 Number of C(=O)-C(H)(OH) pairs -0.79076207 0.207445 3.81191 0.000139015 Number of C(H)!-N+(CH3)(CH3)! pairs 1.6810327 0.181867 9.24318 3.07334E-20 Number of C!=C! pairs -0.43708676 0.0339509 12.8741 1.58859E-37 Number of C!-C(H)(CH3)(CH3) pairs 0.26614863 0.0753855 3.5305 0.000417293 Number of B atoms -0.34262612 0.0522082 6.56269 5.64107E-11 Number of As- atoms-4.6718225 0.384635 12.1461 1.25464E-33 Number of C(H)!=C(Cl)! pairs -0.50588304 0.0912519 5.54381 0.0000000306149 Number of C atoms crossed with Number of C atoms 0.0080056516 0.000667849 11.9872 8.33154E-33 Number of C atoms crossed with Number of N atoms 0.047063969 0.0026098 18.0335 <<0.00000001 Number of C atoms crossed with Number of H atoms -0.0037013097 0.000566151 6.53768 6.66322E-11 Number of C atoms crossed with Number of O atoms -0.0080017308 0.000518864 15.4216 <<0.00000001 Number of C atoms crossed with Number of S atoms 0.047233064 0.00557239 8.47626 2.77845E-17 Number of C atoms crossed with Number of F atoms -0.0096738208 0.00125003 7.73885 1.13615E-14 Number of C atoms crossed with Number of O- atoms 0.18441266 0.0122016 15.1138 <<0.00000001 Number of C atoms crossed with Number of S- atoms 6.5132828 0.6154 10.5838 5.42839E-26 Number of C atoms crossed with Number of N- atoms 0.37386227 0.0346791 10.7806 6.72676E-27 Number of C atoms crossed with Number of P atoms 0.040325046 0.00524 7.69562 1.59043E-14 Number of C atoms crossed with Number of Si atoms 0.031057633 0.00441698 7.03141 2.22701E-12 Number of C atoms crossed with Number of C(H)*C(OH)* pairs 0.041216001 0.00675872 6.0982 0.00000000112662 Number of C atoms crossed with Number of C(H)(H)-C(H)(H)(CH3) pairs -0.028910551 0.00252781 11.437 4.87915E-30 Number of C atoms crossed with Number of consecutive carbons Squared -0.000106498720.0000164596 6.47031 0.000000000104035 Number of C atoms crossed with Number of C(H)(H)!-C(H)(H)! pairs -0.0056005577 0.000942644 5.94133 0.0000000029553 Number of C atoms crossed with Number of C(H)!=C(H)! pairs 0.039279912 0.00853824 4.60047 0.00000428554 Number of C atoms crossed with Number of C*-O pairs 0.014803243 0.00300253 4.93026 0.000000839054 Number of C atoms crossed with Number of C(H)(H)(CH3)-O pairs -0.047558069 0.0104036 4.5713 0.00000492569 Number of C atoms crossed with Number of C*-O(CH3) pairs 0.011974617 0.00236246 5.06871 0.000000410237 Number of C atoms crossed with Number of C(H)*C(NH2)* pairs 0.012923253 0.00338979 3.81241 0.000138737 Number of C atoms crossed with Number of C(H)(H)!-C(H)(CH3)! pairs -0.04127118 0.0112657 3.66343 0.000250602 Number of C atoms crossed with Number of C(H)!-N(H)! pairs 0.0091033326 0.0034357 2.64963 0.00807512 Number of C atoms crossed with Number of C(H)(H)-C(H)(CH3)(CH3) pairs -0.11695467 0.0165678 7.05915 1.82713E-12 Number of C atoms crossed with Number of O--Na+ pairs -0.20876394 0.0196026 10.6498 2.70711E-26 Number of C atoms crossed with Number of C*=C! pairs -0.032059494 0.00609294 5.26174 0.000000146697 Number of C atoms crossed with Number of C(H)(CH3)-C(H)(H)(CH3) pairs -0.12152298 0.029004 4.18988 0.000028235 Number of C atoms crossed with Number of C!-N* pairs -5.4087873 0.741702 7.2924 3.3604E-13 Number of C atoms crossed with Number of N+(H)(H)(H)(H) -0.15947686 0.0175026 9.11163 1.02812E-19 Number of C atoms crossed with Number of C(H)(H)-C(CH3)(CH3)(CH3) pairs -0.11262187 0.0236615 4.75971 0.00000197551 Number of C atoms crossed with Number of C*-C(#N) pairs -0.031984761 0.00687386 4.6531 0.00000332661 Number of C atoms crossed with Number of C(H)(H)-P(=O)(OH) pairs 0.084421262 0.0244872 3.44756 0.000568817 Number of C atoms crossed with Number of C(H)(H)-O(NO2) pairs -0.16198546 0.057667 2.80898 0.00498287 Number of C atoms crossed with Number of C(H)(H)-N+(H)(H) pairs 1.7163824 0.298243 5.75497 0.00000000901146 Number of C atoms crossed with Number of O--P(=O) pairs 0.61902767 0.129757 4.77066 0.00000187141 Number of C atoms crossed with Number of C(H)*N+(CH3)* pairs 2.437043 0.277936 8.76835 2.2219E-18 Number of C atoms crossed with Number of O-As(=O)(OH) pairs -0.51836383 0.0638101 8.12354 5.26392E-16 Number of C atoms crossed with Number of N+*-O- pairs 5.5486641 0.511343 10.8512 3.15437E-27 Number of C atoms crossed with Number of C(H)-C(H)(H)(F) pairs -1.0465134 0.167452 6.24962 0.000000000434242 Number of C atoms crossed with Number of C(H)(H)(=O) -1.8476307 0.110168 16.771 <<0.00000001 Number of C atoms crossed with Number of C(OH)!-C(H)(H)(OH) pairs -0.048583157 0.0197076 2.4652 0.0137163 Number of C atoms crossed with Number of C*N+(CH3)* pairs -2.0631452 0.310806 6.63804 3.40335E-11 Number of C atoms crossed with Number of Na+ -0.12190436 0.0115879 10.5199 1.06085E-25 Number of C atoms crossed with Number of C(=S)-S- pairs -0.84112549 0.17817 4.72091 0.00000239108 Number of C atoms crossed with Number of C(H)-S(=O)(=O) pairs 0.30008146 0.0441167 6.80199 1.11225E-11 Number of C atoms crossed with Number of C-C! pairs -0.039617591 0.0103588 3.82452 0.000132103 Number of C atoms crossed with Number of C(H)-C(F)(F)(F) pairs -0.038790774 0.00882252 4.39679 0.0000111398 Number of C atoms crossed with Number of C(=O)-C(OH)(CH3) pairs -0.48854265 0.0555173 8.79983 1.6841E-18 Number of C atoms crossed with Number of C(H)(CH3)-C(H)(CH3)(CH3) pairs -0.028530238 0.0131926 2.16259 0.0306047 Number of C atoms crossed with Number of C(CH3)(CH3)-C(H)(H)(CH3) pairs -0.053316992 0.0101789 5.23801 0.000000166793 Number of C atoms crossed with Number of C(H)(H)-N+(CH3)(CH3)(CH3) pairs -0.46625578 0.0638994 7.29672 3.25497E-13 Number of C atoms crossed with Number of C(H)-O pairs 0.015124314 0.00453721 3.33339 0.000862152 Number of C atoms crossed with Number of C(H)-C(H)(H)(CH3) pairs 0.01076074 0.00150529 7.14859 9.60423E-13 Number of C atoms crossed with Number of S+ atoms -0.98299783 0.0922669 10.6539 2.59302E-26 Number of N atoms crossed with Number of N atoms 0.073085934 0.00558059 13.0965 9.2818E-39 Number of N atoms crossed with Number of H atoms -0.014057409 0.00161383 8.7106 3.68527E-18 Number of N atoms crossed with Number of O atoms -0.047599845 0.00479432 9.92838 4.36575E-23 Number of N atoms crossed with Number of S atoms 0.12432759 0.0188446 6.59752 4.46887E-11 Number of N atoms crossed with Number of F atoms -0.059955299 0.00833909 7.18967 7.12987E-13 Number of N atoms crossed with Number of N+ atoms -0.37287667 0.0472851 7.88571 3.57591E-15 Number of N atoms crossed with Number of Cl atoms 0.052640621 0.0106187 4.95737 0.000000730422 Number of N atoms crossed with Number of P atoms 0.11036878 0.0277187 3.98175 0.0000690641 Number of N atoms crossed with Number of K 0.70237023 0.200725 3.49917 0.00046945 Number of N atoms crossed with Number of O--S(=O)(=O) pairs -0.25913095 0.0480312 5.39506 0.0000000706216 Number of N atoms crossed with Number of C(H)(H)-C(H)(H)(CH3) pairs -0.22274147 0.0252315 8.82793 1.31401E-18 Number of N atoms crossed with Number of C(H)(H)!-C(H)(H)! pairs -0.077797771 0.00736347 10.5654 6.5901E-26 Number of N atoms crossed with Number of C(=O)-N pairs 0.072697893 0.0168574 4.31251 0.0000163507 Number of N atoms crossed with Number of C(H)!=N! pairs -0.075260714 0.011811 6.37209 0.000000000197642 Number of N atoms crossed with Number of C*-O! pairs 0.16890921 0.0361237 4.67586 0.00000297913 Number of N atoms crossed with Number of C*-O pairs 0.11742423 0.0241001 4.87236 0.00000112565 Number of N atoms crossed with Number of C!=N! pairs -0.16395769 0.0434541 3.77312 0.000162475 Number of N atoms crossed with Number of C(=O)(OH)-C(H)(NH2) pairs 0.39656973 0.0676623 5.86101 0.0000000047979 Number of N atoms crossed with Number of C(H)(H)!-C(H)(CH3)! pairs -0.13923757 0.0373986 3.72307 0.000198279 Number of N atoms crossed with Number of N!=N! pairs -0.18654723 0.0372098 5.01339 0.000000547205 Number of N atoms crossed with Number of C(H)-C(H) pairs 0.048081405 0.0213783 2.24907 0.0245373 Number of N atoms crossed with Number of C(#N)-C(H)(H) pairs -0.2051487 0.0339474 6.04313 0.00000000158474 Number of N atoms crossed with Number of C(=O)-C(H)(H)(CH3) pairs -0.15128225 0.0407704 3.71059 0.000208288 Number of N atoms crossed with Number of N*N* pairs 0.044684172 0.00867167 5.15289 0.000000263128 Number of N atoms crossed with Number of O-S(=O) pairs -0.64770037 0.0897449 7.21713 5.83689E-13 Number of N atoms crossed with Number of C(OH)!-C(=O)! pairs 0.32668811 0.0945966 3.45349 0.000556488 Number of N atoms crossed with Number of C-C(#N) pairs -0.10915225 0.0335041 3.25788 0.00112756 Number of N atoms crossed with Number of O--P(=O) pairs -2.5602298 0.305923 8.36888 6.88978E-17 Number of N atoms crossed with Number of O-As(=O)(OH) pairs 2.994395 0.446344 6.70872 0.000000000021082 Number of N atoms crossed with Number of Na+ 0.38669929 0.0851997 4.53874 0.00000574853 Number of N atoms crossed with Number of C!=C(H)! pairs 0.017877897 0.00544045 3.28611 0.00102055 Number of N atoms crossed with Number of C(H)(H)-C(H)(H) pairs -0.048373636 0.0051408 9.40975 6.50516E-21 Number of N atoms crossed with Number of C*-S(=O)(=O)(NH2) pairs -0.18185849 0.0476518 3.81641 0.000136513 Number of N atoms crossed with Number of C(H)-C(H)! pairs 0.07878229 0.0330801 2.38156 0.0172644 Number of N atoms crossed with Number of C(=O)-C(OH)(CH3) pairs 1.5668498 0.263881 5.93771 0.00000000302093 Number of N atoms crossed with Number of C(H)-N+(H)(H)(H) pairs 0.7534411 0.141118 5.33909 0.0000000961892 Number of N atoms crossed with Number of C(H)*N+* pairs 27.873932 2.38788 11.6731 3.27948E-31 Number of N atoms crossed with Number of C(H)(H)-N+(H)(H)(H) pairs -1.9881228 0.371237 5.3554 0.000000087931 Number of H atoms crossed with Number of H atoms 0.0013741625 0.000209095 6.57196 5.30263E-11 Number of H atoms crossed with Number of S atoms -0.021872897 0.00280022 7.81113 6.44884E-15 Number of H atoms crossed with Number of S- atoms -3.4499266 0.328137 10.5137 1.13253E-25 Number of H atoms crossed with Number of F- atoms -0.63694859 0.109236 5.83095 0.00000000574298 Number of H atoms crossed with Number of C(H)*C(OH)* pairs -0.0043518208 0.00219524 1.98239 0.0474728 Number of H atoms crossed with Number of C(H)(H)-C(H)(CH3)(CH3) pairs 0.025127344 0.00634663 3.95916 0.0000759177 Number of H atoms crossed with Number of C(H)-C(H) pairs -0.025027325 0.0028386 8.81678 1.4501E-18 Number of H atoms crossed with Number of C!-N* pairs 2.1511652 0.225485 9.54018 1.89328E-21 Number of H atoms crossed with Number of C(H)(H)-C(CH3)(CH3)(CH3) pairs 0.047658343 0.0152092 3.13352 0.00173396 Number of H atoms crossed with Number of C(H)(=O)-N(H) pairs 0.025075974 0.0110401 2.27135 0.0231544 Number of H atoms crossed with Number of C(H)*N+(CH3)* pairs -1.1603233 0.0964849 12.026 5.26356E-33 Number of H atoms crossed with Number of C(H)(H)!-N(NO2)! pairs -0.2852909 0.0914227 3.12057 0.00181195 Number of H atoms crossed with Number of C(H)(F)-C(F)(F)(F) pairs -0.21610115 0.0476527 4.53492 0.00000585317 Number of H atoms crossed with Number of C*C-(H)* pairs 0.24126564 0.026248 9.19177 4.93675E-20 Number of H atoms crossed with Number of K+ -0.08353667 0.00938422 8.90183 6.817E-19 Number of H atoms crossed with Number of C(H)-S(=O)(=O) pairs -0.086182393 0.0226978 3.79695 0.000147658 Number of H atoms crossed with Number of C*C* pairs 0.0031178223 0.000804902 3.87354 0.000108188 Number of H atoms crossed with Number of C!=C(OH)! pairs 0.033607572 0.0102504 3.27866 0.00104783 Number of H atoms crossed with Number of C(H)(H)-N+(CH3)(CH3)(CH3) pairs 0.1297607 0.0322251 4.0267 0.0000571303 Number of H atoms crossed with Number of C(H)*N+* pairs -2.2889929 0.203628 11.241 4.4064E-29 Number of H atoms crossed with Number of C=C* pairs -0.71110237 0.156986 4.52971 0.00000599914 Number of H atoms crossed with Number of C(=O)-C(H)(OH) pairs 0.026662888 0.00894164 2.98188 0.00287418 Number of H atoms crossed with Number of C(H)(H)(CH3)-N+* pairs 0.03515292 0.0141233 2.48899 0.0128323 Number of O atoms crossed with Number of F atoms -0.0096145887 0.00306852 3.1333 0.00173528 Number of O atoms crossed with Number of Cl atoms -0.019885248 0.00291597 6.81942 9.86083E-12 Number of O atoms crossed with Number of P atoms -0.062018041 0.010995 5.64057 0.0000000175739 Number of O atoms crossed with Number of Si atoms -0.054480236 0.00907006 6.0066 0.00000000198411 Number of O atoms crossed with Number of Al+++ atoms 14.899071 0.835292 17.837 <<0.00000001 Number of O atoms crossed with Number of Na atoms -0.32405233 0.124325 2.60649 0.009166 Number of O atoms crossed with Number of Zn++ atoms 10.742412 0.455453 23.5862 <<0.00000001 Number of O atoms crossed with Number of C*-S(=O)(=O) pairs -0.064697638 0.0223649 2.89282 0.00382915 Number of O atoms crossed with Number of C!-N* pairs -8.3009739 1.70508 4.86838 0.00000114847 Number of O atoms crossed with Number of O--Si(=O) pairs 0.4336392 0.0851259 5.09409 0.000000359077 Number of O atoms crossed with Number of C(H)(H)-N+(CH3)(CH3) pairs -1.1241943 0.120121 9.35887 1.04832E-20 Number of O atoms crossed with Number of N(=O)-O pairs 0.14168766 0.0503193 2.81577 0.00487886 Number of O atoms crossed with Number of C!-N(CH3) pairs 1.5522461 0.225438 6.88546 0.000000000006232 Number of O atoms crossed with Number of C(#N)-C(H)(CH3) pairs -1.4798332 0.423706 3.4926 0.000481142 Number of O atoms crossed with Number of O--P(=O) pairs -0.2764298 0.0795868 3.47331 0.000517019 Number of O atoms crossed with Number of C(H)*N+(CH3)* pairs 4.130362 0.449152 9.19591 4.75213E-20 Number of O atoms crossed with Number of O!-O! pairs -0.10809222 0.0536511 2.01472 0.0439695 Number of O atoms crossed with Number of C(F)*N* pairs -0.084853865 0.0343108 2.4731 0.0134171 Number of O atoms crossed with Number of C(F)(F)-C(H)(H) pairs 0.28449517 0.0742232 3.83297 0.000127654 Number of O atoms crossed with Number of C(H)(CH3)-C(H)(CH3)(CH3) pairs -0.42914295 0.149509 2.87035 0.00411182 Number of O atoms crossed with Number of C(H)-N+(H)(H)(H) pairs -0.45362917 0.131909 3.43897 0.000587161 Number of O atoms crossed with Number of C(H)*N+* pairs -5.5910945 0.430215 12.9961 3.36473E-38 Number of S atoms crossed with Number of S atoms 0.063279964 0.00982214 6.44258 0.00000000012481 Number of S atoms crossed with Number of O- atoms 0.27955878 0.0855799 3.26664 0.00109327 Number of S atoms crossed with Number of Br- atoms -2.9934587 0.295426 10.1327 5.66902E-24 Number of S atoms crossed with Number of P atoms 0.18642536 0.0322348 5.78335 0.00000000762063 Number of S atoms crossed with Number of O+ atoms -3.1436746 0.618569 5.08218 0.000000382271 Number of S atoms crossed with Number of Mg++ atoms 4.8634415 0.537507 9.04815 1.83044E-19 Number of S atoms crossed with Number of C(H)(H)(CH3)-O pairs -0.052294753 0.0164306 3.18277 0.00146479 Number of S atoms crossed with Number of C!-N* pairs 16.186449 3.78954 4.27135 0.0000196722 Number of S atoms crossed with Number of C!-N(CH3) pairs -3.2095397 0.455901 7.03999 2.09491E-12 Number of S atoms crossed with Number of N+*-O- pairs -2.8472152 0.371737 7.65922 2.1081E-14 Number of S atoms crossed with Number of C!=C(H)! pairs 0.084337376 0.0243022 3.47036 0.000522718 Number of S atoms crossed with Number of C(H)(H)-N pairs 0.13380797 0.0287144 4.65997 0.00000321793 Number of S atoms crossed with Number of C(H)(H)-N+(H)(H)(H) pairs 2.6726139 0.495985 5.3885 0.0000000732366 Number of F atoms crossed with Number of F atoms -0.0071106153 0.000936893 7.58957 3.60195E-14 Number of F atoms crossed with Number of O- atoms 6.3167744 0.352452 17.9223 <<0.00000001 Number of F atoms crossed with Number of Si atoms -0.031145895 0.0136849 2.27594 0.0228782 Number of F atoms crossed with Number of F- atoms -5.4869194 0.487178 11.2627 3.4619E-29 Number of F atoms crossed with Number of C!-N* pairs 5.5361676 1.10352 5.01682 0.000000537578 Number of F atoms crossed with Number of O--P(=O) pairs -3.7007596 0.728083 5.08288 0.000000380857 Number of F atoms crossed with Number of H(F)_salt -1.6688375 0.300222 5.55867 0.0000000281298 Number of O- atoms crossed with Number of O- atoms -0.55318034 0.0603344 9.16858 6.10812E-20 Number of O- atoms crossed with Number of O--S(=O)(=O) pairs -0.31888449 0.109858 2.90269 0.0037106 Number of O- atoms crossed with Number of consecutive carbons Squared -0.003604799 0.000796505 4.52577 0.00000611152 Number of O- atoms crossed with Number of C(H)!-C(CH3)(CH3)! pairs 2.5997791 0.288996 8.9959 2.93403E-19 Number of O- atoms crossed with Number of C(=O)-N pairs -0.87927759 0.0298529 29.4537 <<0.00000001 Number of O- atoms crossed with Number of C(H)!=N! pairs 3.3448308 0.406213 8.23417 2.11925E-16 Number of O- atoms crossed with Number of C!=N! pairs 0.62905061 0.262111 2.39994 0.0164225 Number of O- atoms crossed with Number of C(H)(H)(CH3)-O pairs 5.7357936 0.549572 10.4368 2.52149E-25 Number of O- atoms crossed with Number of C(H)*C(Cl)* pairs 0.41701567 0.0851856 4.89538 0.00000100194 Number of O- atoms crossed with Number of C(=O)(OH)-C(H)(NH2) pairs 0.62848222 0.157649 3.98659 0.0000676743 Number of O- atoms crossed with Number of C(H)*C(NH2)* pairs -14.438217 1.33116 10.8463 3.32347E-27 Number of O- atoms crossed with Number of C(H)(H)!-C(H)(CH3)! pairs 1.6368492 0.397271 4.12023 0.0000382622 Number of O- atoms crossed with Number of C(H)(H)-S(CH3) pairs -4.9955239 0.590392 8.46137 3.15361E-17 Number of O- atoms crossed with Number of C*-N(H)! pairs 3.2400341 0.402177 8.05624 9.10257E-16 Number of O- atoms crossed with Number of C*C(NH2)* pairs 15.218311 1.32802 11.4594 3.78362E-30 Number of O- atoms crossed with Number of C(=O)-C(H)(H)(CH3) pairs 6.3612795 0.355317 17.9031 <<0.00000001 Number of O- atoms crossed with Number of C(Cl)*C(Cl)* pairs 1.1385502 0.0911852 12.4861 2.01765E-35 Number of O- atoms crossed with Number of C(H)(=O)-N(H) pairs 1.4942539 0.294758 5.06942 0.000000408698 Number of O- atoms crossed with Number of O--P(=O) pairs 1.9255973 0.161188 11.9462 1.35228E-32 Number of O- atoms crossed with Number of C(H)*N+(CH3)* pairs 2.4390831 0.505333 4.82668 0.00000141608 Number of O- atoms crossed with Number of Na+ 0.81339765 0.0666591 12.2023 6.38503E-34 Number of O- atoms crossed with Number of C!=C(H)! pairs -2.9659855 0.397684 7.45815 9.77198E-14 Number of O- atoms crossed with Number of C(H)-N+(CH3)(CH3)(CH3) pairs 1.3754163 0.201808 6.81549 0.000000000010133 Number of O- atoms crossed with Number of C(F)(F)-C(H)(F)(F) pairs -25.038019 1.43847 17.406 <<0.00000001 Number of O- atoms crossed with Number of C(H)-C(CH3) pairs 0.42038229 0.0976157 4.3065 0.0000167996 Number of O- atoms crossed with Number of C(H)!-C(H)(H) pairs -1.8146563 0.24278 7.47449 8.63954E-14 Number of O- atoms crossed with Number of C(=O)-C(H)(OH) pairs 0.62076092 0.129833 4.78122 0.000001776 Number of O- atoms crossed with Number of B atoms 0.28688061 0.0541931 5.29367 0.000000123328 Number of N+ atoms crossed with Number of Br atoms -4.660244 0.307951 15.1331 <<0.00000001 Number of N+ atoms crossed with Number of Br- atoms 4.9444251 0.442272 11.1796 8.7194E-29 Number of N+ atoms crossed with Number of C(H)*N* pairs 2.469218 0.276923 8.91663 5.97356E-19 Number of N+ atoms crossed with Number of C*-O! pairs -2.0816295 0.0899341 23.1462 <<0.00000001 Number of N+ atoms crossed with Number of C!=N! pairs 2.8070955 0.501024 5.60271 0.0000000218598 Number of N+ atoms crossed with Number of C(H)*C(Cl)* pairs -1.3019809 0.21079 6.17668 0.000000000689232 Number of N+ atoms crossed with Number of C(=O)(CH3)-O pairs 0.74181676 0.237299 3.12609 0.00177833 Number of N+ atoms crossed with Number of C(H)!-N* pairs -3.2322009 0.681242 4.74457 0.00000212867 Number of N+ atoms crossed with Number of C*C(NH2)* pairs -124.07561 11.0525 11.2261 5.20553E-29 Number of N+ atoms crossed with Number of C(H)-O pairs -1.4377512 0.273154 5.26352 0.000000145295 Number of Cl atoms crossed with Number of Cl- atoms 1.8735725 0.354428 5.28618 0.000000128463 Number of Cl atoms crossed with Number of C*C(OH)* pairs 0.051320314 0.0210461 2.43847 0.0147731 Number of Cl atoms crossed with Number of O--Na+ pairs -18.558601 1.13412 16.3639 <<0.00000001 Number of Cl atoms crossed with Number of N*N* pairs -0.14327051 0.0511067 2.80336 0.00507046 Number of Cl atoms crossed with Number of C(H)(H)-N+(CH3)(CH3) pairs -4.1207738 0.228013 18.0725 <<0.00000001 Number of Cl atoms crossed with Number of C-C(#N) pairs -0.53834361 0.131634 4.08972 0.0000436479 Number of Cl atoms crossed with Number of K+ -2.414716 0.407712 5.92261 0.00000000331051 Number of Cl atoms crossed with Number of C*C* pairs 0.027982866 0.0103715 2.69806 0.00699039 Number of Br atoms crossed with Number of C(H)*C(NO2)* pairs -0.13407131 0.0318501 4.20944 0.0000259027 Number of Br- atoms crossed with Number of C(H)(H)-O pairs 2.4532804 0.403642 6.07786 0.00000000127837 Number of Cl- atoms crossed with Number of Cl- atoms 2.3773065 0.301465 7.88584 3.57226E-15 Number of Cl- atoms crossed with Number of C(H)(H)-C(H)(H)(CH3) pairs 8.4628658 1.50798 5.61207 0.0000000207149 Number of Cl- atoms crossed with Number of consecutive carbons Squared 0.068762898 0.011385 6.03977 0.00000000161794 Number of Cl- atoms crossed with Number of C(H)(H)-O pairs -28.799068 3.65485 7.8797 3.75093E-15 Number of Cl- atoms crossed with Number of C(H)(H)-N+(CH3)(CH3) pairs -2.5926893 0.537217 4.82615 0.00000141988 Number of Cl- atoms crossed with Number of C(H)(H)-C(H)(H) pairs -1.864903 0.187824 9.92899 4.33981E-23 Number of P atoms crossed with Number of Na atoms 1.4116908 0.331106 4.26356 0.0000203696 Number of P atoms crossed with Number of C(H)(H)-C(H)(H)(CH3) pairs -0.23170336 0.0480076 4.82639 0.00000141814 Number of P atoms crossed with Number of O--Na+ pairs 5.2219067 0.68527 7.62021 2.84736E-14 Number of P atoms crossed with Number of C(H)!-C(H)(H)! pairs -0.11597198 0.0484066 2.39579 0.0166093 Number of Si atoms crossed with Number of C(H)(H)(CH3)-O pairs -0.16765611 0.0672956 2.49134 0.012748 Number of O+ atoms crossed with Number of C*-O pairs -109.24211 4.63536 23.5671 <<0.00000001 Number of O+ atoms crossed with Number of C(OH)*C(OH)* pairs 136.00267 5.83989 23.2886 <<0.00000001 Number of O+ atoms crossed with Number of C(H)!-O pairs 108.76401 4.60064 23.6411 <<0.00000001 Number of Na atoms crossed with Number of consecutive carbons Squared 0.016060272 0.00407405 3.94209 0.0000815202 Number of Na atoms crossed with Number of C(H)!=N! pairs 5.2816501 1.0493 5.0335 0.000000492957 Number of C(H)*C(OH)* pairs crossed with Number of C(H)*C(OH)* pairs 0.018844457 0.00601358 3.13365 0.00173322 Number of C(H)*C(OH)* pairs crossed with Number of C(H)(H)-C(H)(H)(CH3) pairs -0.15586823 0.0389118 4.00568 0.0000624439 Number of C(H)*C(OH)* pairs crossed with Number of consecutive carbons Squared -0.0003671853 0.000121258 3.02814 0.00246916 Number of C(H)*C(OH)* pairs crossed with Number of C*-O! pairs 0.062957913 0.0170339 3.69604 0.000220566 Number of C(H)*C(OH)* pairs crossed with Number of C(=O)(OH)-C(H)(NH2) pairs 0.13700578 0.0432651 3.16666 0.00154828 Number of O--S(=O)(=O) pairs crossed with Number of C(H)!-C(CH3)(CH3)! pairs -2.0086703 0.528434 3.80118 0.000145165 Number of O--S(=O)(=O) pairs crossed with Number of O--Na+ pairs 0.43048841 0.127012 3.38936 0.00070421 Number of O--S(=O)(=O) pairs crossed with Number of C(H)(H)-N+(CH3)(CH3) pairs 2.9029322 0.374726 7.74682 1.06767E-14 Number of O--S(=O)(=O) pairs crossed with Number of K+ 0.16737229 0.0786677 2.12759 0.0334044 Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of C(H)(H)(CH3)-O pairs 0.24000433 0.0602574 3.98298 0.0000687076 Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of C(H)*C(Cl)* pairs -0.11917488 0.0315784 3.77394 0.000161944 Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of C(H)-C(H) pairs -0.17445698 0.0683698 2.55167 0.0107409 Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of C*C(NH2)* pairs 0.33003998 0.15257 2.1632 0.0305578 Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of C(#N)-C(H)(H) pairs 1.1064506 0.18504 5.97953 0.00000000234173 Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of C-C(#N) pairs 0.48151851 0.174538 2.75883 0.0058152 Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of O--P(=O) pairs -10.29091 1.70268 6.04396 0.00000000157664 Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of consecutive carbons 0.013121352 0.00426289 3.07804 0.0020913 Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of C(H)(H)-N pairs -0.13863696 0.0308824 4.4892 0.00000725749 Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of C-C! pairs 1.1107981 0.289493 3.83705 0.000125557 Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of C!=C(OH)! pairs -0.99092394 0.321272 3.08438 0.00204727 Number of consecutive carbons Squared crossed with Number of C(F)(F)!-C(F)(F)! pairs 0.024779925 0.00461122 5.37384 0.0000000794261 Number of consecutive carbons Squared crossed with Number of C(H)(H)-C(=O)(=O) pairs 0.02062369 0.00695573 2.96499 0.00303656 Number of consecutive carbons Squared crossed with Number of C(H)(H)-C(H)(H) pairs 0.00011590689 0.0000418997 2.7663 0.00568378 Number of consecutive carbons Squared crossed with Number of C(OH)*C(=O)* pairs 0.0013974743 0.000683468 2.04468 0.0409215 Number of consecutive carbons Squared crossed with Number of C(H)(H)!-N+(H)(H)! pairs 0.05894826 0.0136298 4.32496 0.0000154564 Number of C(H)!-C(CH3)(CH3)! pairs crossed with Number of C(H)!-C(CH3)(CH3)! pairs -0.13449349 0.0483418 2.78213 0.00541394 Number of C(H)!-C(CH3)(CH3)! pairs crossed with Number of C(=O)-N pairs -0.55113566 0.176297 3.12618 0.00177778 Number of C(H)!-C(CH3)(CH3)! pairs crossed with Number of C(H)(H)(CH3)-O pairs -0.37867501 0.127353 2.97342 0.00295448 Number of C(H)!-C(CH3)(CH3)! pairs crossed with Number of C(H)-C(H) pairs -0.39684924 0.164562 2.41154 0.0159093 Number of C(H)!-C(CH3)(CH3)! pairs crossed with Number of C*-N! pairs -0.26972997 0.0787629 3.42458 0.000619083 Number of C(H)!-C(CH3)(CH3)! pairs crossed with Number of C(H)!-O pairs 0.20869382 0.0548538 3.80455 0.000143209 Number of C(H)(H)!-C(H)(H)! pairs crossed with Number of C*-N(CH3)(CH3) pairs 0.58188796 0.155662 3.73815 0.000186777 Number of C(H)(H)!-C(H)(H)! pairs crossed with Number of C(H)(H)!-S! pairs -0.15076049 0.0254336 5.92761 0.00000000321175 Number of C(=O)-N pairs crossed with Number of C!=N! pairs -0.36078167 0.118797 3.03695 0.00239816 Number of C(=O)-N pairs crossed with Number of C(H)(H)-C(H)(CH3)(CH3) pairs -0.47013965 0.147529 3.18675 0.00144477 Number of C(=O)-N pairs crossed with Number of C*N* pairs -0.26562962 0.102488 2.59182 0.00956562 Number of C(H)!=N! pairs crossed with Number of C*-C! pairs -0.16905448 0.0491106 3.44232 0.00057993 Number of C*-N(H) pairs crossed with Number of C*-O(CH3) pairs 0.091899633 0.0254115 3.61646 0.000300646 Number of C*-N(H) pairs crossed with Number of C(H)(H)-N pairs 0.24904114 0.0680993 3.65703 0.000256928 Number of C(H)!=C(H)! pairs crossed with Number of C(=O)(OH)-C(H)(NH2) pairs 0.42040062 0.105303 3.99228 0.0000660727 Number of C(H)!=C(H)! pairs crossed with Number of C-C! pairs 0.36792377 0.119864 3.06952 0.00215181 Number of C(H)!=C(H)! pairs crossed with Number of C!-S! pairs 0.43534034 0.0746897 5.82865 0.00000000582228 Number of C(H)*N* pairs crossed with Number of C*N* pairs -0.15066352 0.0287024 5.24916 0.000000157042 Number of C(H)*N* pairs crossed with Number of C(H)(H)-N pairs -0.12763572 0.0431106 2.96066 0.00307954 Number of C*C(OH)* pairs crossed with Number of C(H)(H)-C(H)(H) pairs -0.042504169 0.0079606 5.33932 0.0000000960683 Number of C*-O! pairs crossed with Number of C*-O! pairs 0.068042636 0.0215496 3.15748 0.00159776 Number of C*-O! pairs crossed with Number of C(H)*C(NO2)* pairs -1.3546673 0.347381 3.89966 0.0000971807 Number of C*-O pairs crossed with Number of C(H)*C(Cl)* pairs 0.048455026 0.0103403 4.68602 0.00000283547 Number of C*-O pairs crossed with Number of O--P(=O) pairs -8.6010771 1.30413 6.59525 4.53767E-11 Number of C!=N! pairs crossed with Number of C(H)(CH3)-C(H)(H)(CH3) pairs -0.91408789 0.353491 2.58589 0.00973176 Number of C!=N! pairs crossed with Number of C!-C(H)(H)! pairs 0.1121026 0.0296621 3.77932 0.000158493 Number of C(H)!-C(=O)! pairs crossed with Number of C*C(Cl)* pairs -0.17253682 0.0543184 3.1764 0.00149728 Number of C(H)!=C(CH3)! pairs crossed with Number of C(H)(H)!-C(H)(CH3)! pairs -0.2153744 0.0864547 2.49118 0.0127536 Number of C(H)*C(Cl)* pairs crossed with Number of consecutive carbons 0.0080875084 0.00258766 3.12541 0.00178244 Number of C(=O)(CH3)-O pairs crossed with Number of C(H)-C(H)(H)(CH3) pairs -0.33987585 0.146198 2.32476 0.0201118 Number of C*-O(CH3) pairs crossed with Number of C*C(NH2)* pairs 0.11078806 0.038715 2.86163 0.00422651 Number of C*-O(CH3) pairs crossed with Number of C*C* pairs 0.021524087 0.00913213 2.35696 0.018451 Number of C*-C(H)(H)! pairs crossed with Number of C(H)(H)-C(H)(CH3)(CH3) pairs -0.65703738 0.150556 4.36406 0.0000129404 Number of C*-C(H)(H)! pairs crossed with Number of C!=C! pairs 0.28247604 0.0908402 3.10959 0.00188057 Number of C(=O)(OH)-C(H)(NH2) pairs crossed with Number of C(=O)(OH)-C(H)(NH2) pairs 0.086974248 0.0375569 2.3158 0.0205963 Number of C(=O)(OH)-C(H)(NH2) pairs crossed with Number of Na+ -2.2511086 0.383914 5.86358 0.00000000472464 Number of C(=O)(OH)-C(H)(NH2) pairs crossed with Number of C(H)!-C(H)(H) pairs 0.30546537 0.112574 2.71346 0.00667385 Number of C*-S(=O)(=O) pairs crossed with Number of C*-N! pairs -0.18542832 0.0485138 3.82218 0.000133364 Number of C(H)*C(NH2)* pairs crossed with Number of C*C(NH2)* pairs 0.076452605 0.020714 3.69086 0.0002251 Number of C(H)(H)-C(H)(CH3)(CH3) pairs crossed with Number of C(H)-N(H)(CH3) pairs -0.73387903 0.266213 2.75673 0.00585248 Number of C(H)(H)-C(H)(H)(NH2) pairs crossed with Number of C(H)(H)-C(H)(H)(NH2) pairs 0.22374016 0.0643056 3.47933 0.000505571 Number of C*-N(H)! pairs crossed with Number of C(=O)!-N(H)! pairs -0.12461331 0.0410979 3.03211 0.00243694 Number of C*-N(H)! pairs crossed with Number of C*-N! pairs 0.19541562 0.0431773 4.52588 0.00000610835 Number of C(H)*C(NO2)* pairs crossed with Number of N=N pairs -0.20285855 0.0794449 2.55345 0.010686 Number of C(H)!-N* pairs crossed with Number of C(H)(H)-C(H)(H) pairs 0.078046419 0.0167111 4.67033 0.00000306022 Number of C(#N)-C(H)(H) pairs crossed with Number of C(#N)-C(H)(H) pairs 0.94771457 0.0875825 10.8208 4.37147E-27 Number of N+(H)(H)(H)(H) crossed with Number of N+(H)(H)(H)(H) 0.59199691 0.128955 4.59071 0.00000449037 Number of K+ crossed with Number of C*-C(=O) pairs 3.406631 0.364361 9.3496 1.14318E-20 Number of consecutive carbons crossed with Number of C(H)(H)-C(H)(H) pairs -0.0057478449 0.00163189 3.5222 0.000430559 Number of C!=C(H)! pairs crossed with Number of C-C! pairs -0.35128006 0.115627 3.03805 0.00238947 Number of C*-N! pairs crossed with Number of C*-N! pairs 0.064444996 0.0179871 3.58284 0.000342066 Number of C*-N! pairs crossed with Number of C!-C(H)(H)! pairs -0.069607258 0.0233746 2.97791 0.00291165 Number of C*N* pairs crossed with Number of C*C* pairs -0.015545031 0.0066608 2.33381 0.0196323 Number of C*-C(=O) pairs crossed with Number of C!=C! pairs 0.20252162 0.0748326 2.70633 0.00681879 Number of C(H)!-O pairs crossed with Number of C!=C! pairs 0.5080381 0.142053 3.57639 0.000350599 Number of C!=C(H) pairs crossed with Number of C(H)!-C(H)(H)! pairs -0.087525658 0.0351335 2.49123 0.012752 Number of C*C* pairs crossed with Number of C(H)(H)!-C(CH3)(CH3)! pairs -0.11006427 0.0495955 2.21924 0.0265008 Number of C*C* pairs crossed with Number of C*-N(H)(CH3) pairs 0.25265929 0.0969165 2.60698 0.0091528 Number of C(=S)-S pairs -1.2192168 0.158854 7.67505 1.86522E-14 Number of C(H)!-C(H)(OH)! pairs -0.19113931 0.0414084 4.61595 0.00000397891 Number of B(H)*N(H)* pairs 0.33692217 0.0635362 5.30284 0.000000117311 Number of Al atoms -0.39970911 0.0679743 5.88029 0.00000000427341 Number of O*Bi(OH)* pairs -0.7985878 0.172938 4.61776 0.00000394444 Number of C(H)=C(H) pairs -0.12071998 0.01884 6.40763 0.000000000156857 Number of C*C(H)* pairs -0.062208749 0.00560088 11.107 1.94518E-28 Number of C(H)=C(CH3)(CH3) pairs -0.15710005 0.0368446 4.26386 0.0000203424 Number of C(H)!-N(CH3)! pairs -0.11169036 0.0299132 3.73382 0.000190012 Number of C(H)(H)(CH3)-S(=O)(=O) pairs 0.37274277 0.0855372 4.35767 0.0000133229 Number of C(H)(H)-C(H)(H)(OH) pairs -0.10552333 0.0221328 4.76774 0.00000189866 Square_root_of_Number of consecutive carbons -0.17521678 0.0287903 6.08597 0.00000000121559 Number of C(H)*C(CH3)* pairs -0.024178451 0.0108288 2.2328 0.025592 Number of C(=O)*N(H)* pairs -0.077148721 0.0229003 3.36889 0.000758564 Number of C(=O)-O- pairs 0.34432861 0.0857046 4.01762 0.0000593706 Number of C(H)(OH)!-C(H)(OH)! pairs -0.074088998 0.0211398 3.50471 0.000459808 Number of C*-C(H)(H) pairs 0.045571022 0.0139611 3.26415 0.00110292 Number of C(H)(H)-C(=O)(OH) pairs -0.057647314 0.0269809 2.1366 0.0326636 Number of C*-C(=O)(CH3) pairs 0.19764595 0.0609831 3.24099 0.00119641 Number of C*-As(=O)(OH)(OH) pairs -0.28814873 0.133024 2.16614 0.0303322 Number of C(=O)(OH)(CH3) 0.68357068 0.345758 1.97702 0.0480764 Number of C*-C(F)(F)(F) pairs 0.1807076 0.0394835 4.57679 0.0000047987 Number of C(=O)(OH)-C(H)(CH3) pairs -0.1198037 0.0549866 2.17878 0.0293795 Number of C(H)(H)(OH)-C(H)(H)(NH2) pairs -0.73625964 0.245572 2.99814 0.00272534 Number of C=C(H) pairs -0.27744105 0.0615654 4.50644 0.00000669368 Number of C*N(CH3)* pairs -0.23744147 0.0578882 4.10172 0.0000414481 Number of C(NH2)*N(H)* pairs -0.37252194 0.0906982 4.10727 0.0000404674 Number of C(H)(CH3)(CH3)-O pairs 0.14695841 0.0376681 3.9014 0.0000964837 Number of C*-C(OH)! pairs -0.15899266 0.0664384 2.39309 0.0167321 Number of C!=C(Cl)! pairs -0.43700236 0.0783591 5.57692 0.0000000253449 Number of S-S pairs0.3787241 0.0909443 4.16435 0.0000315779 Number of O(CH3)-P(=O) pairs -0.10649308 0.0357043 2.98264 0.00286706 Number of C(H)!-C(=O)(OH) pairs -0.16236115 0.0370309 4.38448 0.0000117869 Number of C(=O)*C(=O)* pairs 0.4327569 0.121606 3.55869 0.000375046 Number of C(Cl)=C(Cl) pairs -1.0600148 0.349305 3.03464 0.00241662 Number of C*-N(CH3)! pairs -0.43116015 0.145755 2.95812 0.00310501 Number of C*=N pairs -0.42903897 0.134247 3.1959 0.00139979 Number of P(=S)-S pairs 0.19213626 0.0746276 2.5746 0.0100549 Number of C(CH3)*C(NH2)* pairs -0.29766637 0.0988645 3.01085 0.00261395 Number of C(H)(NH2)-C(H)(H)(OH) pairs -0.25877398 0.0988998 2.61653 0.00890096 Number of C(OH)*C(NH2)* pairs -0.45542869 0.175056 2.60162 0.00929685 Number of C!-C(H)(H)(CH3) pairs 0.1259767 0.0404162 3.11699 0.00183409 Number of C(H)(OH)-C(H)(H)(OH) pairs -0.19952737 0.0448331 4.45045 0.00000869456 Number of O--S(=O)(=O)(OH) pairs 0.89398044 0.270469 3.3053 0.000953264 Number of O--P(=O)(OH) pairs 0.75080794 0.101374 7.40635 1.44168E-13 Number of C*-C(H)(=O) pairs 0.21659531 0.0827414 2.61774 0.00886946 Number of O-Sb(=O) pairs -0.68227869 0.174016 3.92077 0.0000890623 Number of C(OH)!=C(OH)! pairs -0.93430924 0.247411 3.77635 0.000160389 Number of C(NO2)!=N! pairs 0.54338884 0.20264 2.68155 0.00734436 Number of C*-S(=O)(=O)(CH3) pairs 0.26987997 0.0799764 3.37449 0.000743317 Number of N!-P(=O) pairs 0.2022869 0.0631828 3.20161 0.00137238 Number of K+ atoms -3.5299289 0.739958 4.77045 0.00000187336 Number of C-N(H)(CH3) pairs 0.95587659 0.31822 3.00382 0.002675 Number of C(H)(H)!-N* pairs -2.0384097 0.457798 4.45264 0.00000860654 Number of S(=O)(=O)-Zn pairs -0.74870294 0.178391 4.19698 0.0000273663 Number of Bi(Cl)(=O) -1.3872396 0.347832 3.98824 0.0000672051 Number of C(H)!-C(H)(H)(CH3) pairs 0.86907941 0.185118 4.69472 0.00000271774 Number of C(H)(H)(Br)-C(H)(H)(CH3) pairs 0.79677987 0.34606 2.30243 0.0213385 Number of C(H)(H)(CH3)-C(H)(OH)(CH3) pairs 0.87318552 0.345531 2.52709 0.011522 Number of C(=O)(NH2)-S pairs 0.4379878 0.160343 2.73157 0.00631829 Number of C=C(CH3) pairs -0.60148358 0.201774 2.98098 0.0028826 Number of C(H)(H)-P pairs -0.29670101 0.0856508 3.46408 0.000535069 Number of C(H)(H)!-S(=O)(=O)! pairs 0.23788305 0.0755894 3.14704 0.00165585 Number of C+ atoms -1.1762382 0.372055 3.16146 0.00157613 Number of C(H)=C(Cl)(Cl) pairs -0.59176922 0.136486 4.33574 0.0000147196 Number of C(CH3)!-N(H)(CH3) pairs -0.63740999 0.252621 2.52318 0.0116505 Number of C(H)(Cl)=C(H)(Cl) pairs -0.88873738 0.346409 2.56557 0.0103202 Number of C(H)(CH3)!-C(CH3)(CH3)! pairs 0.17345162 0.0669862 2.58936 0.00963414 Number of C(H)(H)-Al(H) pairs -0.40762761 0.181861 2.24142 0.0250283 Number of C(H)(CH3)-C(H)(CH3) pairs 0.41206658 0.142678 2.88808 0.00388721 Number of S(=O)(=O)(CH3)(CH3) 0.9352209 0.346639 2.69797 0.00699221 Number of C!-S(=O)(=O)! pairs 1.1717337 0.358598 3.26754 0.0010898 Number of C*C-(H)* pairs -2.2314684 0.443873 5.02726 0.000000509204 Number of C*-P(=O) pairs 0.26730573 0.114194 2.3408 0.0192686 Number of C(H)!-P(=O)(OH)(OH) pairs -0.88419437 0.347069 2.54761 0.0108665 Number of N(H)(H)(NH2) -0.93177873 0.247855 3.75938 0.000171648 Number of C(H)(OH)-C(H)(CH3)(CH3) pairs 0.36956197 0.143943 2.56741 0.0102655 Number of C(=O)(OH)-C(H)(CH3)(CH3) pairs 0.81213129 0.345491 2.35066 0.0187664 Number of C*C(OH)* pairs crossed with Number of C(H)(H)!-C(CH3)(CH3)! pairs -0.39550388 0.10817 3.65631 0.000257649 Number of C*-C(CH3)(CH3)(CH3) pairs 0.1531526 0.0390081 3.92618 0.000087089 Number of C atoms crossed with Number of Zn++ atoms -1.3531188 0.313954 4.30993 0.0000165422 Number of C(H)(H)-S pairs -0.065654822 0.0223636 2.93579 0.00333719 Number of C*C(CH3)* pairs -0.069008693 0.0184712 3.73602 0.00018836 Number of C*-C(=O)! pairs 0.070296936 0.0305356 2.30213 0.0213556 Number of C(Cl)!-C(Cl)(Cl)! pairs -0.13225204 0.0538937 2.45394 0.0141529 Number of C(H)(H)-Si pairs -0.58057994 0.150169 3.86617 0.000111504 Number of C(NH2)=N(H) pairs 0.10902061 0.0464734 2.34587 0.0190089 Number of C(H)!-C(H)(CH3)(CH3) pairs 0.82438678 0.27872 2.95776 0.00310864 Number of C*-C(H)(CH3)(CH3) pairs 0.14546017 0.047711 3.04877 0.00230589 Number of C*-C(H)(NH2) pairs 0.2529768 0.0838411 3.01734 0.00255874 Number of S!-S! pairs -0.20298335 0.0662994 3.06161 0.00220936 Number of C(CH3)(CH3)(CH3)-N pairs 0.26741278 0.106914 2.50119 0.0123991 Number of O*-Bi! pairs -0.30773246 0.11669 2.63718 0.00837721 Number of B#P pairs-0.89179146 0.358383 2.48838 0.0128546 Number of B!-O! pairs -0.21950254 0.0620699 3.53638 0.000408135 Number of C(H)(Br)(CH3)(CH3) 0.73554987 0.34606 2.1255 0.0335783 Number of C*S(=O)(=O)* pairs 0.30752522 0.130756 2.35191 0.0187035 Number of C(H)*N(CH3)* pairs -0.33941704 0.156582 2.16766 0.0302164 Number of C(H)(=O)-N(CH3)(CH3) pairs -0.73033923 0.345828 2.11186 0.0347321 Number of C(OH)!-C(H)(H) pairs -0.34450999 0.147216 2.34017 0.0193012 Number of C(=O)(OH)-C(OH)(NH2)(CH3) pairs -0.5302968 0.244829 2.16599 0.0303441 Number of O(H)(Cl) -0.96470374 0.347831 2.77349 0.0055598 Number of O- atoms crossed with Number of C*-C(=O) pairs 0.23347861 0.085838 2.71999 0.0065436 Number of C(Cl)!-C(H)(H)! pairs -0.35774979 0.146572 2.44078 0.0146789 Number of C atoms crossed with Number of C(H)*N* pairs -0.0098475358 0.00190036 5.18192 0.000000225409 Number of C atoms crossed with Number of C*C(OH)* pairs 0.0076437122 0.00260294 2.93657 0.00332886 Number of C atoms crossed with Number of C(H)(H)-C(H)(H)(NH2) pairs 0.013690892 0.00578846 2.36521 0.0180457 Number of C atoms crossed with Number of C-C(#N) pairs -0.033517182 0.01147 2.92215 0.00348676 Number of C atoms crossed with Number of C*N* pairs -0.0032206893 0.001408 2.28742 0.0221997 Number of C atoms crossed with Number of C(H)(H)-C(OH)(CH3)(CH3) pairs -0.024224183 0.0101011 2.39817 0.0165018 Number of C atoms crossed with Number of C(H)(H)(OH)-N(H) pairs 0.29971892 0.116693 2.56844 0.0102352 Number of C atoms crossed with Number of C(H)!-C(H)(H)! pairs -0.0016149884 0.000763318 2.11575 0.0343996 Number of C atoms crossed with Number of C(H)(H)-N+(H)(H)(H) pairs -0.21235718 0.0551227 3.85244 0.000117933 Number of C atoms crossed with Number of C atoms crossed with Number of C atoms -0.000051133888 0.00000961228 5.31964 0.000000107017 Number of C atoms crossed with Number of C atoms crossed with Number of N atoms -0.0015103737 0.000161256 9.36631 9.77789E-21 Number of C atoms crossed with Number of C atoms crossed with Number of S atoms -0.000388745420.000147588 2.63399 0.00845641 Number of C atoms crossed with Number of C atoms crossed with Number of C(H)*C(OH)* pairs -0.000645777040.00016428 3.93096 0.0000853782 Number of C atoms crossed with Number of C atoms crossed with Number of C(H)!=C(H)! pairs -0.000792612380.000267512 2.96291 0.00305718 Number of C atoms crossed with Number of C atoms crossed with Number of C(H)(H)(CH3)-O pairs 0.0011360833 0.000340091 3.34052 0.000840341 Number of C atoms crossed with Number of C atoms crossed with Number of C(H)(H)!-C(H)(CH3)! pairs 0.00089954247 0.000266097 3.38051 0.000727267 Number of C atoms crossed with Number of C atoms crossed with Number of C(H)(H)-C(H)(CH3)(CH3) pairs 0.0016043189 0.000409662 3.9162 0.0000907625 Number of C atoms crossed with Number of C atoms crossed with Number of C(H)-C(H) pairs 0.00094670482 0.0000936416 10.1099 7.13338E-24 Number of C atoms crossed with Number of C atoms crossed with Number of C(H)(CH3)-C(H)(H)(CH3) pairs 0.002439108 0.000810504 3.00937 0.00262669 Number of C atoms crossed with Number of C atoms crossed with Number of C(H)(H)-O(NO2) pairs 0.0045638685 0.00195615 2.33309 0.0196702 Number of C atoms crossed with Number of N atoms crossed with Number of N atoms -0.002170434 0.000260344 8.33678 9.01925E-17 Number of C atoms crossed with Number of N atoms crossed with Number of H atoms 0.0013816436 0.000208955 6.61217 4.05051E-11 Number of C atoms crossed with Number of N atoms crossed with Number of S atoms -0.0044594845 0.00140836 3.16643 0.0015495 Number of C atoms crossed with Number of N atoms crossed with Number of F atoms 0.002458706 0.000440381 5.58314 0.0000000244582 Number of C atoms crossed with Number of N atoms crossed with Number of P atoms -0.0079022162 0.00192555 4.10388 0.0000410647 Number of C atoms crossed with Number of N atoms crossed with Number of C(H)(H)-C(H)(H)(CH3) pairs 0.0078071035 0.00122178 6.38992 0.000000000176023 Number of C atoms crossed with Number of N atoms crossed with Number of C(H)(H)!-C(H)(H)! pairs 0.0016750753 0.000370429 4.52199 0.00000622146 Number of C atoms crossed with Number of N atoms crossed with Number of C*-O pairs -0.0032123846 0.00109569 2.93184 0.00337994 Number of C atoms crossed with Number of O atoms crossed with Number of C(H)(H)-N+(CH3)(CH3)(CH3) pairs 0.030208711 0.010149 2.97652 0.00292486 Number of C atoms crossed with Number of O- atoms crossed with Number of O--P(=O) pairs 0.062833682 0.0277215 2.26661 0.023443 Number of C atoms crossed with Number of Cl- atoms crossed with Number of consecutive carbons Squared 0.0015921055 0.000317453 5.01525 0.00000054196 Number of C atoms crossed with Number of Cl- atoms crossed with Number of C(H)(H)-O pairs 5.2114787 0.558725 9.32745 1.40577E-20 Number of C atoms crossed with Number of O+ atoms crossed with Number of C(OH)*C(OH)* pairs -9.0657215 0.386357 23.4646 <<0.00000001 Number of C atoms crossed with Number of C(H)(H)!-C(H)(H)! pairs crossed with Number of C*-N(CH3)(CH3) pairs -0.017588515 0.00623351 2.82161 0.00479112 Number of C atoms crossed with Number of C(H)*N* pairs crossed with Number of C*N* pairs 0.0062768641 0.00154974 4.05028 0.0000516792 Number of C atoms crossed with Number of C(=S)-S pairs 0.10860359 0.0239053 4.54308 0.00000563181 Number of C atoms crossed with Number of C(H)!-C(H)(OH)! pairs 0.0073777293 0.00243556 3.02917 0.00246071 Number of C atoms crossed with Number of C-N(H)(CH3) pairs -0.060959924 0.0255215 2.38857 0.0169391 Number of C atoms crossed with Number of C(H)(H)!-N* pairs 0.089732915 0.0249726 3.59325 0.000328703 Number of C atoms crossed with Number of C(H)!-C(H)(H)(CH3) pairs -0.04043854 0.0107162 3.77358 0.000162176 Number of C atoms crossed with Number of C(H)!-C(H)(CH3)(CH3) pairs -0.047785889 0.0190952 2.50251 0.012353 Number of C atoms crossed with Number of O- atoms crossed with Number of C(H)(H)!-N+(CH3)(CH3)! pairs -0.070997678 0.0201332 3.5264 0.000423807 Number of N atoms crossed with Number of S- atoms -3.1412199 0.707562 4.4395 0.0000091477 Number of N atoms crossed with Number of N- atoms -0.67479616 0.133658 5.0487 0.000000455452 Number of N atoms crossed with Number of H+ atoms -1.4407822 0.17957 8.02353 1.18598E-15 Number of N atoms crossed with Number of Cl- atoms 0.88117921 0.159896 5.51094 0.0000000368934 Number of N atoms crossed with Number of O+ atoms 3.9049325 0.337187 11.5809 9.46875E-31 Number of N atoms crossed with Number of C(H)!-C(=O)! pairs -0.03565868 0.0114995 3.1009 0.0019366 Number of N atoms crossed with Number of C(H)!=C(CH3)! pairs 0.055665426 0.0216395 2.5724 0.0101188 Number of N atoms crossed with Number of C(OH)*C(OH)* pairs 0.11767331 0.0507357 2.31934 0.0204036 Number of N atoms crossed with Number of N+(H)(H)(H)(H) 0.28672656 0.11079 2.58803 0.00967154 Number of N atoms crossed with Number of C(CH3)!-C(CH3)(CH3)! pairs -0.28074598 0.118598 2.36721 0.0179483 Number of N atoms crossed with Number of K+ -2.9993351 0.514617 5.82829 0.00000000583479 Number of N atoms crossed with Number of C!-C(#N) pairs -0.12115211 0.05641 2.14771 0.0317694 Number of N atoms crossed with Number of C(H)-S(=O)(=O) pairs -0.85670382 0.395086 2.1684 0.03016 Number of N atoms crossed with Number of C(H)!-C(H)(H)! pairs -0.011302208 0.00313538 3.60473 0.000314532 Number of N atoms crossed with Number of C atoms crossed with Number of O atoms 0.00078042393 0.000214164 3.64404 0.000270225 Number of N atoms crossed with Number of C atoms crossed with Number of Na+ -0.010899027 0.00453245 2.40467 0.0162116 Number of N atoms crossed with Number of N atoms crossed with Number of N atoms -0.0025465072 0.000574367 4.43359 0.00000940151 Number of N atoms crossed with Number of N atoms crossed with Number of O atoms 0.0027880673 0.000681009 4.09403 0.0000428454 Number of N atoms crossed with Number of N atoms crossed with Number of S atoms -0.0064450651 0.00227997 2.82682 0.00471393 Number of N atoms crossed with Number of N atoms crossed with Number of Cl atoms -0.0095738173 0.00226378 4.22913 0.0000237427 Number of N atoms crossed with Number of N atoms crossed with Number of C(H)(H)!-C(H)(H)! pairs 0.004870669 0.00105006 4.63847 0.00000357021 Number of N atoms crossed with Number of N atoms crossed with Number of C*-O! pairs -0.021933263 0.0076155 2.88008 0.00398714 Number of N atoms crossed with Number of N atoms crossed with Number of C!=N! pairs 0.013440163 0.00509039 2.6403 0.00830057 Number of N atoms crossed with Number of N atoms crossed with Number of C(=O)(OH)-C(H)(NH2) pairs -0.053652424 0.0126677 4.23536 0.0000230946 Number of N atoms crossed with Number of N atoms crossed with Number of C(H)(H)!-C(H)(CH3)! pairs 0.019769771 0.00701595 2.81783 0.00484772 Number of N atoms crossed with Number of N atoms crossed with Number of C(H)(H)-C(H)(H) pairs 0.0060728383 0.00119669 5.07469 0.000000397572 Number of N atoms crossed with Number of H atoms crossed with Number of H atoms -0.000377853550.0000771141 4.89993 0.000000979073 Number of N atoms crossed with Number of H atoms crossed with Number of S atoms 0.0033357611 0.00110447 3.02024 0.00253432 Number of N atoms crossed with Number of H atoms crossed with Number of C=C* pairs -0.28325313 0.0379549 7.46289 9.42911E-14 Number of N atoms crossed with Number of O atoms crossed with Number of P atoms 0.0092756981 0.00334539 2.77268 0.00557353 Number of N atoms crossed with Number of O atoms crossed with Number of Si atoms 0.084169857 0.0315091 2.67129 0.0075726 Number of N atoms crossed with Number of O atoms crossed with Number of C*-S(=O)(=O) pairs -0.012850183 0.00397855 3.22986 0.00124391 Number of N atoms crossed with Number of S atoms crossed with Number of S atoms -0.014836548 0.00371434 3.99439 0.0000654885 Number of N atoms crossed with Number of S atoms crossed with Number of O+ atoms -1.3937156 0.345269 4.03661 0.0000547768 Number of N atoms crossed with Number of O- atoms crossed with Number of O- atoms 0.19845749 0.0437193 4.53936 0.00000573181 Number of N atoms crossed with Number of O- atoms crossed with Number of Na+ -0.2616258 0.0478541 5.46716 0.0000000472214 Number of N atoms crossed with Number of N+ atoms crossed with Number of C(H)(H)!-C(H)(H)! pairs -0.14639278 0.0215589 6.79035 1.20523E-11 Number of N atoms crossed with Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of C(H)*C(Cl)* pairs 0.033583965 0.0163779 2.05057 0.040344 Number of N atoms crossed with Number of C(H)(H)-C(H)(H)(CH3) pairs crossed with Number of C(H)(H)-N pairs 0.03703307 0.0146661 2.52509 0.0115876 Number of N atoms crossed with Number of C(H)(H)!-C(H)(H)! pairs crossed with Number of C(H)(H)!-S! pairs 0.056759384 0.0156602 3.62444 0.000291526 Number of N atoms crossed with Number of C(H)!=C(H)! pairs crossed with Number of C!-S! pairs -0.10622743 0.0283363 3.74881 0.000179028 Number of N atoms crossed with Number of C*C(OH)* pairs crossed with Number of C(H)(H)-C(H)(H) pairs 0.035817884 0.0127875 2.80101 0.00510755 Number of N atoms crossed with Number of C!=N! pairs crossed with Number of C(H)(CH3)-C(H)(H)(CH3) pairs 0.25094733 0.086372 2.90542 0.00367844 Number of N atoms crossed with Number of C(H)!-O pairs crossed with Number of C!=C! pairs -1.0512846 0.417063 2.52069 0.0117335 Number of N atoms crossed with Number of C(H)(H)-C(=O)(OH) pairs -0.030861938 0.0146784 2.10254 0.03554 Number of N atoms crossed with Number of C*-N(CH3)! pairs 0.087087184 0.0354976 2.45333 0.014177 Number of N atoms crossed with Number of K+ atoms 2.4176369 0.427795 5.65139 0.0000000165072 ------------------------------------------------------------------ note: response variable: ionization_potential Printout of response values, predicted values and residuals: observed predicted residual A-796260 8.5922403 8.4846783 0.10756204 A-834735 8.5762997 8.5195866 0.05671335 A-836339 8.42099 8.42099 2.1224089E-10 AB-001 8.4953403 8.8096285 -0.31428772 abacavir 8.4151897 8.5946503 -0.17946085 abametapir 9.0318604 8.9560947 0.075765274 abediterol 8.8223 8.7747211 0.047578774 abexinostat 9.1821804 8.9445639 0.23761624 ABH 9.1110897 9.1742334 -0.0631437 abikoviromycin 9.0883198 9.5508699 -0.4625504 abscisic acid 9.9114504 9.6464338 0.26501638 ABT-719 8.3523102 8.975069 -0.62275934 AC 206784 9.5680599 9.3007002 0.26736015 AC 303630 9.5156498 9.7506657 -0.2350156 acadesine 9.1595001 9.5310059 -0.37150541 acamprosate 9.6539402 10.065434 -0.41149339 acecainide 8.9725103 8.9918299 -0.019320153 acecarbromal 10.41331 9.6652346 0.74807507 aceclidine 9.3876696 9.8683252 -0.48065528 aceclofenac 8.7350502 8.6312618 0.10378794 aceglatone 11.24214 11.725129 -0.48298922 acematacin 8.6411695 8.6999121 -0.058742467 acenaphthene 8.5941801 8.9180031 -0.32382357 acequinocyl 10.28243 10.224107 0.058323123 acetal 10.4891 10.72061 -0.23150977 acetaldehyde 10.7034 10.461482 0.24191771 acetaldehyde ethyl phenyleth9.4538002 9.6691942 -0.21539454 acetaldehyde phenethyl propy9.5815496 9.8943481 -0.31279814 acetaldoxime 10.43693 10.037775 0.3991546 acetamide 9.7523603 10.037775 -0.28541538 acetamidoeugenol 9.39536 8.9308739 0.46448573 B-acetamido-L-alanine 9.6145 9.7334185 -0.11891876 acetaminophen 8.6121502 8.679285 -0.067135468 acetaminosalol 8.90376 8.7605162 0.14324342 acetamiprid 9.4939098 9.3560743 0.13783553 acetanilide 8.8952398 9.0968361 -0.20159644 acetanisole 9.3747301 9.5873718 -0.21264146 acetarsone 8.8522701 8.9688482 -0.11657818 acetazolamide 9.83885 9.4436693 0.39518103 acethion 9.46984 9.46984 8.5496055E-12 acetic acid 11.43592 11.43592 2.8315128E-12 acetic anhydride 11.04227 10.930591 0.11167958 acetoacetanilide 8.9099998 9.1862001 -0.27620035 acetoacetic acid 10.98201 10.634559 0.34745115 acetochlor 9.4947395 9.3275433 0.16719645 acetohexamide 9.8191204 9.8269835 -0.0078636697 acetol 10.63701 10.576497 0.060512792 acetone 10.77217 10.293632 0.47853807 acetone cyanohydrin 11.91793 11.91793 3.0695446E-12 acetone peroxide dimer 11.33103 11.232017 0.099013664 acetone peroxide trimer 10.99144 10.993891 -0.0024505577 acetonylacetone 10.7191 10.255415 0.46368542 acetophenone 10.00446 9.8204212 0.18403873 acetoprole 9.3992796 9.4229603 -0.023680368 acetosulfone sodium 8.6309099 8.6822367 -0.051326793 acetoxolone 10.02987 10.274755 -0.24488436 1-acetoxy-2-methylnaphthalen8.7364998 9.0231266 -0.28662691 B-N-Acetyl-a,B-diaminopropio9.6186504 9.7334185 -0.11476876 N-Acetylalanine 9.93501 10.039768 -0.10475858 N-Acetylarginine 17.35779 17.28546 0.072329909 N-Acetylaspartic acid 4.8477502 4.4987311 0.34901872 acetyl bromide 11.20095 10.573569 0.62738091 4-acetylbutyric acid 10.86517 10.540633 0.32453644 acetylcarnitine 8.44207 7.8179827 0.62408733 acetyl cedrene 9.9190197 9.7385769 0.18044348 acetyl chloride 11.09022 10.557269 0.53295106 acetylcholine 14.4244 15.319641 -0.89524156 acetylcholine bromide 14.17713 13.863552 0.31357747 acetylcholine chloride 14.34343 14.34343 -1.2784245E-09 2-acetylcyclohexanone 10.71565 10.575353 0.14029771 2-acetylcyclopentanone 10.71934 10.540695 0.17864475 N-acetylcysteine 9.5114803 9.7763758 -0.26489571 3-acetyl-2,5-dimethylfuran 9.1600904 9.3637753 -0.20368549 N-Acetyldjenkolic acid 9.44629 9.0945406 0.35174936 acetylethanolamine 9.4379501 9.9536247 -0.51567501 acetylfentanyl 9.0622396 9.0595369 0.0027027901 acetyl fluoride 12.05574 12.05574 3.0127012E-12 acetylglucosamine 9.9974203 9.9885511 0.0088685127 N-Acetylglutamic acid 4.5025401 4.5810342 -0.078494288 N-acetylglycine 9.9727201 10.218603 -0.24588282 N-acetylhistidine 9.1950903 9.5375481 -0.34245762 O-Acetylhomoserine 10.00848 10.013582 -0.0051026219 1-acetylindole 8.7325401 8.7534456 -0.02090545 acetylleucine monoethanolami9.2684298 9.4695263 -0.20109634 N-acetylmethionine 9.1788902 9.2936821 -0.11479232 1-acetyl-3-methylpiperidine 9.4800301 9.9338617 -0.45383149 2-acetylnaphthalene 9.3298302 9.3600559 -0.030226218 N-Acetylornithine 9.6802998 9.5886297 0.091670059 acetylpheneturide 9.7011604 9.5026922 0.19846748 1-acetyl-2-phenylhydrazine 8.70117 8.9377317 -0.23656215 acetyl phosphate 11.30656 10.835414 0.47114572 2-acetylpyridine 10.31916 9.8891439 0.43001601 3-acetylpyridine 10.37359 10.058499 0.31509039 3-acetylpyridine 10.33384 10.058499 0.27534038 4-acetylpyridine 10.34533 10.063063 0.28226703 4-acetylpyridine 10.34383 10.063063 0.28076702 2-acetyl-1-pyrroline 10.52085 10.145123 0.37572607 acetylsalicylsalicylic acid 9.7934504 9.6083441 0.18510626 acetyl sulfisoxazole 8.90376 8.9621601 -0.058400225 acetyl tert-butyl dimethylin9.32862 9.2617702 0.066850126 6-acetyl-2,3,4,5-tetrahydrop10.05542 10.13811 -0.082690477 2-acetylthiophene 9.8293304 9.3872433 0.44208696 acetyltributyl citrate 11.14412 10.850625 0.293495 acetyltrimethylsilane 9.2106705 9.6266899 -0.41601998 N-acetyltryptamine 8.4421196 8.4953403 -0.053220466 N-acetyltryptophan 8.5813704 8.8068142 -0.22544397 acibenzolar-S-methyl 9.6419096 9.7109156 -0.069005974 Acid Orange 3 7.9456601 8.3395987 -0.39393842 Acid Orange 5 8.2617502 8.2323341 0.029415404 Acid Orange 7 8.4006796 8.2137976 0.18688205 Acid Red 14 7.9562302 8.0801315 -0.12390154 Acid Red 52 8.8171902 8.8171902 1.3511325E-10 Acid Yellow 17 8.53545 8.7188158 -0.18336563 acifluorfen sodium 9.4215803 9.4215803 -1.2272849E-11 acifran 9.82061 9.9213772 -0.10076675 acipimox 15.70282 15.491576 0.21124382 acitretin 8.6688499 8.3803196 0.28853035 aclidinium bromide 8.4454603 8.4581223 -0.012662257 aclonifen 9.19098 9.1546526 0.036327589 ACN, quinoclamine 9.0192299 9.3231316 -0.3039014 acolbifene 8.50033 8.3870487 0.11328157 aconitic acid 11.26223 10.876038 0.38619271 acridine 8.5998201 8.8034906 -0.2036711 acridine orange 8.1276302 7.961832 0.16579774 acriflavine 6.6461101 7.3052673 -0.65915728 acrinathrin 9.2289495 9.4244728 -0.19552256 acrivastine 9.0415497 8.770298 0.27125207 acrolein 10.69141 10.288357 0.40305346 acronycine 8.5784702 8.4317083 0.14676209 acrylamide 9.6930504 9.9059782 -0.21292862 acrylic acid 11.1426 10.571221 0.57137817 acryloyl chloride 11.012 10.387844 0.62415552 actinobolin 9.3711395 9.6193905 -0.24825053 actithiazic acid 9.4364204 9.4949112 -0.058491353 acyclovir 8.73452 8.808466 -0.073946081 acylfulvene 9.1205502 8.8485727 0.27197701 adafosbuvir 9.1574898 9.2637281 -0.10623839 adamantane 10.84813 10.112452 0.73567879 adefovir 8.8532104 9.0584154 -0.20520575 adefovir dipivoxil 8.9064903 8.7239552 0.1825349 adenine 8.8352203 9.015316 -0.18009564 adenosine 8.9569502 9.2151108 -0.25816095 S-adenosylmethionine 7.6157398 7.6182041 -0.0024640185 5'-adenylic acid 8.8771095 8.8912144 -0.014104265 aderbasib 8.9941597 8.8720932 0.1220665 adipic acid 11.45199 10.825852 0.6261375 adipiplon 8.9656401 9.0849972 -0.11935694 adipoin 10.38092 10.601522 -0.2206023 adiponitrile 12.15729 12.241226 -0.083936602 adrafinil 9.4301701 9.2733097 0.15685995 adrenalone 9.2186699 8.9807634 0.2379064 adrenosterone 10.23866 10.03202 0.20664054 aeruginoic acid 9.48526 9.2201405 0.26511973 afatinib 8.5281801 8.3858366 0.1423437 afegostat 9.5180101 9.8498449 -0.33183524 affinin 9.0033102 8.9950285 0.0082811275 affinine 8.42313 8.4317446 -0.0086148418 afimoxifene 8.6588898 8.6116381 0.047252364 aflatoxin B1 9.2756004 9.2008801 0.074720062 aflatoxin G1 9.4705296 9.505579 -0.035049461 aflatoxin M1 9.3679504 9.2127285 0.15522167 afloqualone 8.5166197 8.7974777 -0.28085777 afoxolaner 9.2738304 9.5352631 -0.26143309 afuresertib 9.0833797 9.0463514 0.037028871 aganepag 8.8178596 8.6416893 0.176171 aganepag ethanediol 8.8374996 8.4624729 0.37502727 aganepag isopropyl 8.8312702 8.6422338 0.18903589 ageliferin 9.2750502 8.7431068 0.53194338 agmatine 9.1130896 8.7745876 0.33850273 ahistan 7.95437 8.0789204 -0.1245499 I-A09 8.4703598 8.1878233 0.28253639 ailanthone 10.42087 10.298997 0.12187269 ajoene 9.2281303 8.9621525 0.26597711 aklomide 10.23251 10.13294 0.099569529 akton 8.92943 9.276722 -0.34729162 alachlor 9.60748 9.3519144 0.25556579 alamifovir 8.6795702 9.0232992 -0.34372965 B-Alanine 9.74401 9.927844 -0.18383421 B-Alanine betaine 7.8182998 8.187582 -0.36928245 D-alanine 9.9624395 10.128252 -0.165812 L-Alanine 9.7706699 10.128252 -0.357582 dl-alaninol 9.3461504 9.8777065 -0.53155631 Alanosine 9.9393902 9.9659042 -0.026514404 L-alanosine 10.16477 9.9659042 0.19886559 alantolactone 9.8590498 9.8062963 0.052753475 2-Alanyl-3-isoxazolin-5-one 10.03762 9.6681795 0.36944023 L-alanyl-L-alanine 9.6655703 9.6257915 0.039778605 alanylnorvaline 9.6402597 9.7234497 -0.083190016 alanylphenylalanine 9.65168 9.4155569 0.23612313 albaconazole 9.3556499 9.7709417 -0.41529179 albendazole 8.3903503 8.657897 -0.26754683 Albizziin 9.6646404 9.6995668 -0.034926668 albuterol 9.0327702 8.9132357 0.11953411 albutoin 9.02106 9.3627644 -0.34170428 alclofenac 9.4773703 9.2945204 0.18284954 alcometasone dipropionate 10.3445 10.045237 0.29926348 aldicarb 9.2753601 9.1724806 0.10287921 aldimorph 9.0611801 9.6396189 -0.5784387 aldioxa 9.5836897 9.6712198 -0.087529711 aldol 10.84542 10.426208 0.4192113 aldoxycarb 10.03278 9.5279541 0.50482547 aldrin 9.3125 9.1367989 0.17570105 aldron 10.34451 10.121089 0.22342068 aleglitazar 8.5171204 9.0535374 -0.53641695 alendronic acid 9.7439003 9.5452433 0.19865656 aleplasinin 8.4433403 8.5447302 -0.10139061 alfadolone 10.27277 10.398904 -0.12613343 alibendol 9.3262796 8.9140577 0.41222221 alicate 11.05272 10.854467 0.19825286 alisertib 8.7083397 8.7099657 -0.0016259055 aliskiren 8.7994404 9.2181282 -0.41868827 alitame 9.2608805 9.3856153 -0.12473494 alitretinoin 8.4124203 8.5546885 -0.14226869 alizapride 9.2047195 8.9182205 0.28649935 alizarin 9.29638 9.0798569 0.21652336 alizarine blue 8.9272404 8.9593992 -0.032158919 alizarine orange 9.8028002 9.8259239 -0.023123991 Alizurol purple 8.2194004 8.2622337 -0.042833339 alkannin 9.1103802 9.0869179 0.023462417 alkofanone 9.1859703 9.387599 -0.20162867 alkyl (C10-C16) benzenesulfo9.1572704 9.0488405 0.10842948 allantoin 10.1175 10.022639 0.09486033 allenolic acid 8.7463303 9.0515814 -0.30525181 allethrin 9.6632099 9.5766964 0.086513616 allicin 9.4657001 9.069932 0.39576769 alliin 9.6384602 9.347167 0.29129285 allobarbital 10.5123 10.143507 0.3687934 alloclamide 9.09834 9.0591488 0.039190911 D-Alloenduracididine 9.0775404 9.4681215 -0.39058107 D-Allohydroxyproline betaine15.42681 15.512413 -0.085603498 L-4-allohydroxyproline 8.6768703 8.8002882 -0.12341821 D-Alloisoleucine 9.7019901 10.124805 -0.4228155 Allokainic acid 9.7126904 9.5793943 0.13329545 allopregnanolone 10.49282 10.117257 0.37556314 allopurinol 9.3500404 9.4852648 -0.13522485 D-Allothreonine 9.6978197 9.8969231 -0.19910295 alloxan 11.11496 10.832541 0.28241929 alloxydim-sodium 11.24432 11.040638 0.20368189 Allura Red AC 7.2783799 7.5850549 -0.30667481 allyl acetate 10.26327 10.362414 -0.099144168 allyl alcohol 10.06909 10.152268 -0.08317861 allylamine 9.4284897 9.6474628 -0.21897244 allyl amyl glycolate 10.46038 10.547956 -0.087575674 allylbenzene 9.3860703 9.3636532 0.022416418 allyl bromide 10.45217 10.121058 0.33111191 allyl chloride 10.3382 10.124643 0.21355681 allyl cyanide 10.84369 10.309929 0.53376096 S-Allylcysteine 9.1311502 8.9971266 0.13402334 allyl disulfide 8.4493904 9.1241417 -0.67475152 allyl ether 10.01582 9.860076 0.15574385 allyl ethyl ether 10.02549 10.26719 -0.2416997 3-allylfentanyl 8.9822302 9.0511808 -0.06895072 allyl hexanoate 10.24951 10.485565 -0.23605512 allyl alpha-ionone 9.5878201 9.4374533 0.15036644 allyl isothiocyanate 9.1650696 9.376668 -0.21159805 S-Allylmercaptocysteine 9.5633402 9.0909643 0.47237584 allyl methacrylate 10.36039 10.03353 0.32685965 N-allylmethylamine 9.2193699 9.5536318 -0.33426198 allyl methyl sulfide 8.9026299 9.0614862 -0.15885668 allylprodine 9.01371 9.1877651 -0.17405501 allyl sulfide 8.8973503 9.0917406 -0.19439046 allyltrichlorosilane 9.9660597 9.8486528 0.11740715 allyltrimethoxysilane 9.1847496 9.3529863 -0.16823663 allyltrimethylsilane 9.8235397 9.3204269 0.50311297 allylurea 9.5456696 9.5303488 0.015320916 allyxycarb 8.9380102 8.8703327 0.067677416 alminoprofen 8.6237803 8.7826958 -0.15891546 almotriptan 8.5017099 8.3966455 0.10506467 aloe-emodin 9.3032503 9.1206179 0.18263251 alorac 9.8259096 9.8259096 -1.0070167E-11 aloracetam 8.8227901 8.85777 -0.03497972 alosetron 8.4225597 8.377821 0.044739302 alovudine 9.6379604 9.6664619 -0.028501706 aloxidone 10.56923 10.161644 0.40758601 alpelisib 8.7241898 9.1280622 -0.4038718 alpha-methylthiofentanyl 9.0218096 8.9401512 0.081658572 alphaprodine 8.9703598 9.2603035 -0.28994364 alpidem 8.8155499 9.007556 -0.19200586 alprazolam 9.68328 9.2763672 0.40691322 alprenolol 8.9542503 8.9930859 -0.038835898 alprenoxime 9.1828403 8.9680643 0.21477595 altemicidin 9.0222797 9.1290216 -0.10674163 althiazide 9.6248503 9.3376255 0.28722477 altretamine 8.8436604 8.6978197 0.14584008 D-altrose 10.50686 10.853756 -0.34689626 aluminium 9.8339701 9.4818487 0.35212138 aluminum acetate 10.90633 11.14881 -0.24248025 aluminum ammonium sulfate 12.38924 12.38924 1.9539925E-12 aluminum antimonide 9.5408297 10.281267 -0.74043685 aluminum bis(acetylsalicylat9.8352604 9.816946 0.018313527 aluminum bromide 14.31355 14.31355 1.2629897E-12 aluminum chlorohydrate 10.91551 11.468726 -0.55321634 aluminum distearate 10.85497 10.685537 0.16943277 aluminum hydroxide 11.22475 11.214246 0.010504267 aluminum lactate 10.48784 11.184299 -0.69645959 aluminum magnesium silicate 13.16549 13.16549 -3.1441516E-12 aluminum nitrate 13.08657 13.08657 -2.0126123E-12 aluminum phosphate 10.45702 10.607919 -0.15089826 aluminum selenide 9.3372297 8.8475037 0.48972663 aluminum silicate 9.5391903 9.5452766 -0.0060864664 aluminum subacetate 10.96159 11.083668 -0.12207729 alvameline 9.0466604 9.2196836 -0.17302334 alvimopan 9.1135597 8.9793215 0.13423848 alvocidib 8.9988403 8.9555855 0.043254327 AM-1220 8.5458899 8.3350306 0.21085966 AM-1221 9.0313301 8.8754425 0.15588737 AM-1235 9.1630497 9.1832266 -0.020176496 AM-1248 8.3727102 8.4131365 -0.040426403 AM-2201 8.6049004 8.5825815 0.022318397 amantadine 9.4221201 9.6165771 -0.19445735 Amaranth 7.8596401 7.7257667 0.13387336 ambazone 8.5517197 8.4763145 0.075405478 amber carane isomer 1 10.11626 10.199863 -0.083603114 amber carane isomer 2 10.35812 10.199863 0.15825689 amber dioxane 9.2627602 9.2867184 -0.023958184 amber formate 9.5424805 9.3422337 0.20024621 ambrisentan 9.5693703 9.3868389 0.18253113 ambroxan 10.43856 10.332716 0.10584438 ambroxol 8.9819098 9.0539188 -0.072008766 ambucaine 8.7466602 8.6839657 0.062693946 ambucetamide 9.09519 8.6986046 0.39658526 ambuside 9.5750704 9.6193943 -0.044324521 amdinocillin 9.0015697 9.2571888 -0.25561902 amdoxovir 8.56915 9.0489826 -0.47983271 amentoflavone 8.9771204 8.8329973 0.14412282 ametridione 9.6318903 9.8127747 -0.18088496 ametryn 8.99193 8.8363295 0.15560082 amfenac 8.6978998 8.7699804 -0.072080024 AMG-36 8.8839302 8.7220612 0.16186899 amibegron 9.1549902 9.0479488 0.10704078 amibuzin 9.5281496 9.0009241 0.52722543 amicarbalide 8.6419296 8.7372713 -0.095341697 amicarbazone 9.3736095 9.3050156 0.068594046 amidephrine 9.0207701 9.1486034 -0.12783326 amidinomycin 9.4546299 9.0555077 0.39912203 amidithion 9.5468502 9.4783688 0.068480931 This field cannot be left bl9.6371202 9.3423986 0.29472116 amidoflumet 9.5433903 9.8969059 -0.35351557 amidosulfuron 9.9840002 9.8754559 0.10854369 amidothionate 8.5250502 8.5603409 -0.035290632 amifampridine 8.6498699 8.9640522 -0.31418225 amiflamine 8.4752398 8.5106497 -0.0354096 amifostine 9.4145899 9.0147381 0.3998515 amiloride 8.6953201 9.201438 -0.50611752 aminacrine 8.1322098 8.0968771 0.035332572 aminitrozole 9.8340101 9.7406826 0.09332709 p-aminoacetanilide 8.1416597 8.3156242 -0.17396408 a-Aminoacetic acid 9.9125004 10.285392 -0.37289149 2'-aminoacetophenone 8.8009195 8.998395 -0.19747457 3'-aminoacetophenone 8.8146896 8.9550858 -0.14039554 4'-aminoacetophenone 8.8351002 8.9550858 -0.11998554 a-Amino-g-N-acetylaminobutyr9.8403196 9.6442146 0.19610505 2-aminoacridine 8.2899504 8.2923975 -0.0024471222 3-aminoacridine 8.3196402 8.2923975 0.027242878 4-aminoacridine 8.1087599 8.2710896 -0.16232988 9-aminoacridine 8.1243801 8.0968771 0.027502572 a-Aminoadipic acid 9.8010902 9.9003277 -0.09923812 1-[3'-(g-Amino-a-g-dicarboxy9.6147604 9.5157967 0.098963208 B-Aminoalanine 9.6027603 9.6838198 -0.081059866 aminoallyluridine 9.0685902 9.0361719 0.0324184 g-Amino-a-methylene butyric 9.5676498 9.8245382 -0.25688806 2-Amino-4-(2-amino-3-hydroxy12.08696 12.39747 -0.31050989 1-aminoanthraquinone 8.7862597 8.729393 0.056867205 4-aminoantipyrine 8.4625902 8.9370213 -0.47443125 6-amino-5-azaindole 8.1829901 8.1805668 0.0024235209 p-aminoazobenzene 8.5775003 8.4320526 0.14544776 o-aminoazotoluene 8.5032597 8.3138409 0.18941939 2-aminobenzoic acid 8.8231001 9.0668259 -0.24372622 3-aminobenzoic acid 8.8988104 9.0105944 -0.11178395 p-aminobenzoic acid (PABA) 8.9701796 9.0105944 -0.04041395 2-aminobenzonitrile 9.0010405 9.1772652 -0.17622469 3-aminobenzonitrile 9.0444498 9.1210327 -0.076582417 4-aminobenzonitrile 9.0064297 9.1210327 -0.11460242 alpha-amino-beta-(2-amino-2-9.4127598 9.4892445 -0.076484576 3-aminobiphenyl 8.5765305 8.3930893 0.18344103 a-Amino-B-(2-methylene cyclo9.8564596 9.6801233 0.17633668 a-Amino-B-oxalylaminopropion9.90804 10.158002 -0.24996151 3-amino-5-bromobenzotrifluor9.2535696 9.4826403 -0.22907072 2-amino-1-butanol 9.3332701 9.4973917 -0.16412188 4-amino-1-butanol 9.4298201 9.6033182 -0.17349783 N-(4-Aminobutyl)-3-aminoprop9.4604902 9.3199282 0.14056167 alpha-Aminobutyric acid 9.8067303 9.6637497 0.14298052 beta-aminobutyric acid 9.5495996 9.90765 -0.35804987 g-Aminobutyric acid betaine 7.0824699 8.1477509 -1.0652813 g-aminobutyric acid (GABA) 9.5824099 9.8603249 -0.27791518 g-Aminobutyrine 9.4127302 9.4671144 -0.054384548 6-aminocaproic acid 9.5180902 9.758028 -0.23993757 aminocarb 8.5025396 8.7432432 -0.24070282 2-Amino-2-carboxyethyl-2-gua9.0800505 9.2016516 -0.12160195 S-2-Amino-2-carboxyethylhomo9.4920597 9.397727 0.094333142 N-e-(2-Amino-2-carboxyethyl)11.92986 9.6373997 2.2924604 N-d-(2-Amino-2-carboxyethyl)9.63484 9.7171926 -0.082353048 3-Amino-(3-carboxypropyldime6.1769199 7.3800902 -1.2031699 3-Amino-3-carboxypyrrolidine9.4617701 9.6446419 -0.18287176 7-aminocephalosporanic acid 9.4060402 9.3622074 0.043833047 2-amino-6-chloro-4-nitrophen9.1942101 9.2726545 -0.078444406 aminochlorthenoxazin 8.7282495 8.8068419 -0.078592315 1-Aminocyclopropane-1-carbox9.7103004 10.099295 -0.38899499 aminocyclopyrachlor 9.3420601 9.47505 -0.13299033 aminocyclopyrachlor-methyl 9.3132496 9.486764 -0.17351419 Amino-d-guanidinovaleric aci17.502781 17.228455 0.274326 a-Amino-d-hydroxyvaleric aci9.8540297 9.7192097 0.1348206 2-Amino-4,4-dichlorobutyric 10.16255 9.9209089 0.24164082 a-Amino-(2,5-dihydro-5-methy9.7270699 9.6824427 0.044626985 2-Amino-4,5-dihydroxypentano9.7050304 10.004507 -0.29947662 1-(2-Amino-6-(3,5-dimethoxyp8.7947798 8.6234274 0.17135294 2-Amino-3-dimethylaminopropi9.2442598 9.5044022 -0.2601423 a-Amino-B,B-dimethyl-g-hydro9.9575005 9.6819592 0.27554041 4-amino-5,6-dimethylthieno[28.9064398 8.6028957 0.30354449 a-Amino-e-amidinocaproic aci9.1933403 9.3590717 -0.16573171 a-Amino-e-guanidino-g-hydrox12.14812 11.821543 0.32657766 2-Aminoethanesulfinic acid 9.7394304 9.6800404 0.059389398 2-Aminoethanesulfonic acid 9.9077902 9.9276571 -0.019866692 aminoethyl ethanolamine 9.3126402 9.287796 0.02484367 a-Amino-g-N-ethylglutaramic 9.5214701 9.5489674 -0.027497731 2-Aminoethylphosphonic acid 9.6255302 9.7544127 -0.12888305 aminoethylpiperazine 9.1754904 8.9138918 0.26159862 a-Amino-e-trimethylaminoadip12.67572 12.891074 -0.21535385 2-Amino-3-formyl-3-pentenoic10.02245 9.7061863 0.31626397 a-Amino-g-[2-(4-carboxy)-thi10.09855 9.5586023 0.53994751 a-Amino-g-hydroxyadipic acid9.3732004 10.035648 -0.66244817 a-Amino-g-hydroxybutyric aci10.13193 9.7914 0.34053037 a-Amino-g-hydroxypimelic aci9.7496004 9.9718266 -0.22222677 a-Aminoglutaramic acid 9.9630604 9.7122927 0.25076717 3-Aminoglutaric acid 9.8488798 9.7675171 0.081362858 a-Aminoglutaric acid 4.3708301 4.473361 -0.10253109 aminoglutethimide 8.7823896 9.1358471 -0.35345703 aminoguanidine 9.53374 9.403409 0.13033146 a-Amino(O-guanidyl)-g-hydrox9.6577301 9.4878082 0.16992162 3-(4-Amino-1H-benzo[c][1,2,69.0865297 8.9236298 0.16290024 2-Aminoheptanoic acid 9.8665199 9.8277969 0.03872354 2-Amino-4,5-hexadienoic acid8.5751896 9.2066221 -0.63143224 2-Amino-4-hexenoic acid 9.73458 9.4679651 0.26661515 p-aminohippuric acid 8.9096899 8.8941355 0.015554558 2-Amino-6-hydroxyaminohexano9.8177004 9.6058779 0.21182238 3-amino-4-hydroxybutyric aci9.9275599 9.8820496 0.045510635 a-Amino-B-hydroxybutyric aci9.8959599 9.8969231 -0.00096296001 g-Amino-B-hydroxybutyric aci9.3561001 9.391387 -0.035287105 gamma-amino-beta-hydroxybuty9.9394302 10.140823 -0.20139334 2-Amino-4-hydroxy-5-methylhe9.4878197 9.5954399 -0.10761976 2-Amino-6-hydroxy-4-methyl-49.6659698 9.4540768 0.21189354 2-Amino-3-hydroxymethyl-3-pe9.6817799 9.6900873 -0.0083075743 2-Amino-5-hydroxy-4-oxopenta9.9564505 10.015965 -0.059515748 a-Amino-B-hydroxyphenylpropi9.1452303 9.095067 0.050162587 a-Amino-B-hydroxypropionic a10.07746 9.777463 0.29999682 O-(2-Amino-3-hydroxypropyl)-9.5957298 9.3601646 0.23556562 4-amino-2-hydroxytoluene 8.4438496 8.2900267 0.15382324 2-amino-5-hydroxyvaleric aci9.8532696 9.7192097 0.13406059 a-Amino-B-(2-iminoimidazolid9.0598402 9.2988434 -0.23900321 2-aminoindane 9.2165003 9.0236235 0.19287673 a-Amino-B-3-Indolepropionic 8.4641104 8.5992565 -0.13514654 a-Aminoisobutyric acid 9.7597303 10.019979 -0.26024893 B-Aminoisobutyric acid 9.7153702 9.9001751 -0.18480521 a-Aminoisocaproic acid 9.7962904 10.221016 -0.42472637 a-Aminoisovaleric acid 9.8668003 9.5651865 0.30161393 D-4-Amino-3-isoxazolinone 9.7704296 9.9646749 -0.19424535 a-Amino-B-ketobutyric acid 10.0321 9.9117136 0.12038678 2-Amino-4-ketohexanoic acid 9.81738 9.689023 0.1283565 a-Amino-3-keto-5-isoxazolidi9.8656702 10.116502 -0.25083181 a-Amino-3-keto-4-isoxazoline10.01907 9.934351 0.084719479 2-Amino-4-ketopentanoate 9.8480301 9.7900133 0.058016416 aminolevulinic acid 9.6689596 10.080092 -0.41113222 aminolevulinic acid methyl e9.6348896 10.068675 -0.43378547 4-amino-m-cresol 8.2904902 8.2024813 0.088008627 2-Amino-4-methoxy-trans-3-bu9.5125704 9.6818771 -0.16930737 a-Amino-B-methylaminopropion9.3140297 9.5891418 -0.275112 4-aminomethylbenzoic acid 9.6237497 9.4482536 0.17549677 a-Amino-B-methyl-g,d-dihydro9.7249203 9.806716 -0.081795812 2-Amino-4-methyl-hexanoic ac9.7280502 9.9508953 -0.22284557 2-Amino-4-methyl-5-hexenoic 9.7719097 9.3839302 0.38797978 2-Amino-5-methyl-4-hexenoic 9.4771299 9.2268305 0.25029984 2-Amino-5-methyl-6-hydroxyhe9.5803404 9.5954399 -0.015099762 aminomethyl propanediol 9.9067497 10.013159 -0.10640913 2-amino-2-methyl-1-propanol 9.3386097 9.7561655 -0.41755584 2-amino-4-methylthiazole 8.9383297 8.92346 0.01486953 a-Amino-B-methyl-valeric aci9.8414698 10.124805 -0.28333551 aminometradine 9.18717 9.0789919 0.10817835 3-amino-2-naphthoic acid 8.4208298 8.6031542 -0.18232377 1-Amino-2-nitrocyclopentane 10.38228 10.704404 -0.32212383 2-amino-5-nitrothiazole 9.7657099 9.5917864 0.17392378 2-Amino-3-(N-nitrosohydroxya9.9908304 9.9659042 0.024925597 2-amino-2-norbornanecarboxyl9.7843599 10.004153 -0.21979317 a-Amino-octanoic acid 9.7271605 9.7838631 -0.056702923 5-aminoorotic acid 8.8822803 9.2983923 -0.41611224 (2S,5R)-N-[4-(2-Amino-2-oxoe8.5964003 8.9704475 -0.37404749 aminooxyacetic acid 10.54742 10.444498 0.10292169 6-aminopenicillanic acid 9.6645002 9.5636501 0.10085019 L-2-amino-4-pentenoic acid 9.8864803 9.5640612 0.32241857 aminophenazone 8.7937202 8.5687246 0.2249953 m-aminophenol 8.6100597 8.2148771 0.39518249 o-aminophenol 8.6381197 8.4440708 0.19404888 p-aminophenol 8.3517704 8.2148771 0.1368925 4-amino-D-phenylalanine 8.7271204 8.6951094 0.032010779 4-amino-3-phenylbutyric acid9.3958397 9.362999 0.032840848 a-Amino-B-phenylbutyric acid9.5792503 9.1190987 0.46015123 2-amino-4-phosphonobutyric a9.91467 9.7333364 0.18133327 2-amino-3-phosphonopropionic9.9115496 9.8021221 0.10942782 2-amino-5-phosphonovaleric a9.8475504 9.6760874 0.1714624 aminophylline 8.8731899 8.6308756 0.24231483 2-amino-4-picoline 8.7943897 9.0734081 -0.27901801 a-Aminopimelic acid 9.86234 9.8352461 0.027094094 4-Aminopipecolic acid 9.5594797 9.3366156 0.22286412 1-Amino-D-proline 9.4997396 9.5460577 -0.046317331 cis-3-Aminoproline 9.6105003 9.3679028 0.24259698 2-aminopropanol 9.5905704 9.8777065 -0.28713629 1-amino-2-propanone 9.5364504 9.8878574 -0.35140723 aminopropionitrile 9.8887796 9.8436756 0.045104116 p-aminopropiophenone 8.8579702 8.814683 0.043287233 N-Aminopropylmorpholine 9.2384005 9.3013172 -0.06291765 N-(3-Aminopropyl)-N-octadecy9.0668602 9.1828051 -0.1159448 aminopropylon 8.7835903 8.6820974 0.10149218 3-aminopropyltriethoxysilane9.2674704 8.9209785 0.34649113 aminopterin 8.9133797 8.8715525 0.041827887 aminopyralid 9.3509102 9.1702271 0.18068287 3-aminopyrazine-2-carboxylic9.3652496 9.538044 -0.17279384 3-amino-4-pyrazolecarboxylic8.8520002 9.2876453 -0.4356454 2-aminopyridine 8.8309097 9.1918344 -0.36092457 3-aminopyridine 8.8917503 9.0708199 -0.17906961 4-aminopyridine 9.1036901 9.0708199 0.032870393 aminopyrine 8.5444698 8.5687246 -0.024254695 aminorex 9.2743397 9.2468777 0.027461926 p-aminosalicylic acid hydraz8.9092503 8.3521175 0.55713218 p-aminosalicylic acid 8.9805098 8.6723223 0.30818763 a-Aminosuccinamic acid 9.7947302 9.8038511 -0.0091211479 a-Aminosuccinic acid 10.11362 10.056377 0.057242557 2-aminotetralin 9.2776804 9.0601625 0.21751729 2-aminothiazole 9.0129004 8.7505722 0.26232749 2-amino-4-thiazoleacetic aci9.0770798 9.1867571 -0.10967728 a-amino-2-thiopheneacetic ac9.7266798 9.3917599 0.33492044 aminotrimethylene phosphonic9.3344002 9.1421585 0.19224162 2-Amino-3-ureidopropionic ac9.6780005 9.6995668 -0.021566667 amiphos 9.1622896 8.8195457 0.34274396 amiphos (DAEP) 9.5708399 9.3687391 0.20210092 amiprilose 9.1088495 9.7570887 -0.64823866 amiprofos-methyl 9.5705299 9.2737474 0.2967827 amisometradine 9.2014904 9.0514441 0.1500456 amitifadine 9.24646 9.1232595 0.12320078 amiton 9.3050604 9.3807449 -0.075684898 amitraz 8.3597002 8.7714911 -0.41179144 amitriptyline 8.9812498 8.6538877 0.32736209 amitriptylinoxide 9.1634998 9.0547543 0.10874555 amitrole 9.6069403 9.5252085 0.081731386 amixetrine 8.81569 9.3521252 -0.53643513 amlexanox 9.099 8.9100914 0.18890835 ammonium acetate 9.2845497 8.8157454 0.46880478 ammonium benzoate 9.0980396 8.6451941 0.45284614 ammonium bicarbonate 9.6806602 9.2976122 0.38304818 ammonium bifluoride 11.00835 11.00835 6.7590378E-12 ammonium bimalate 9.7595596 9.6665573 0.093002632 ammonium binoxalate 9.6740398 9.7236328 -0.049593206 ammonium bisulfate 10.2929 10.47223 -0.17932963 ammonium bisulfite 7.8657799 7.8657799 1.8243185E-12 ammonium bitartrate 9.5608702 10.011386 -0.45051575 ammonium caprylate 9.2731199 9.2630301 0.010089586 ammonium carbamate 8.3357201 8.6289101 -0.29319 ammonium chloride 9.4583597 9.2611723 0.19718727 ammonium cumenesulfonate 9.1984901 9.7133799 -0.51488954 ammonium dithiocarbamate 8.3085098 8.3085098 -6.2509997E-12 ammonium fluoride 10.69894 10.69894 2.5117686E-12 ammonium formate 8.6709805 8.9987431 -0.32776308 ammonium hydrosulfide 9.0004301 9.0004301 -5.1034732E-12 ammonium hydroxide 18.826651 18.826651 3.6592951E-13 ammonium lactate 9.4307604 9.2873869 0.14337343 ammonium lauryl sulfate 9.9691601 9.8245087 0.14465134 ammonium mandelate 8.9370899 8.7983561 0.13873442 ammonium mercuric chloride 4.00913 4.00913 7.5939255E-13 ammonium nitrate 10.56426 10.553624 0.010636285 ammonium oxalate 8.0017595 8.2172356 -0.21547584 ammonium peroxydisulfate 10.54389 10.406584 0.1373065 ammonium phosphate, dibasic 8.7248297 8.7998209 -0.074990734 ammonium phosphate, monobasi9.0441399 9.1079159 -0.063775823 ammmonium picrate 9.7158699 9.8169746 -0.1011048 ammonium salicylate 8.4212799 8.3375673 0.083712555 ammonium sulfamate 9.0493202 8.9091692 0.14015065 ammonium sulfate 9.2169704 9.1919651 0.025005154 ammonium sulfite 6.7716098 6.7131705 0.058439359 ammonium thiocyanate 8.2271795 8.2271795 3.5864645E-12 ammonium trichlorotelluride -10.09216 -10.09216 -1.3802293E-12 ammonium valerate 9.2758799 9.4018478 -0.12596805 ammonium xylenesulfonate 9.0313301 9.3582926 -0.32696262 amobarbital 10.67312 10.579628 0.093491837 amocarzine 8.6565599 9.0699348 -0.4133746 amonafide 8.87572 8.4566355 0.41908413 amoxapine 9.1990805 8.822588 0.37649211 amoxicillin 9.1648598 9.5620995 -0.39723957 ampakine 9.9045 9.4761906 0.42830956 amphenidone 8.66745 8.8054628 -0.13801275 amphenone B 8.48349 8.2093 0.27418971 amphetamine 9.3785 9.1520367 0.22646374 amphetaminil 9.6304502 9.379755 0.25069532 ampicillin 9.6631403 9.7814636 -0.1183237 ampropylfos 9.1627598 9.7530613 -0.59030122 amsacrine 8.1681204 8.1422949 0.025824999 Amudol 8.6569405 9.0278654 -0.37092564 amygdalin 9.9959698 9.9202728 0.075697638 amyl acetate 11.24872 10.823139 0.42558122 n-amylamine 9.3965101 9.7765665 -0.38005623 n-amyl butyrate 11.16782 10.968465 0.19935516 amyl chloride 10.4131 10.549369 -0.1362693 amyl cinnamal 9.6165895 9.5896978 0.026892465 amyl ether 10.49065 10.787851 -0.29720178 t-amyl methyl ether 10.62178 10.802994 -0.18121369 amyl nitrate 11.83918 11.823113 0.016066249 amyl nitrite 10.64489 10.991336 -0.34644556 amylocaine hydrochloride 9.0322504 9.2136784 -0.181428 anabasine 9.4626503 9.3627777 0.099872753 anacardic acid (C15:3, all-Z9.4698696 9.0255413 0.44432905 anagrelide 8.7834196 9.1697063 -0.38628605 anamorelin 9.4671602 8.9674768 0.49968311 anandamide 9.7145596 9.1396856 0.5748747 anastrozole 10.29273 10.382909 -0.090178609 anatabine 9.5250797 9.1547251 0.37035492 anatoxin-a 9.5386295 9.3434687 0.19516157 ancitabine 8.9129601 9.2461472 -0.33318728 ancymidol 9.1516504 9.4080133 -0.25636336 andoprim 8.5137396 8.4918146 0.021924986 androisoxazole 9.8736496 9.9240198 -0.050369978 5alpha-androstane-3beta,17be10.74103 10.156348 0.58468139 4-androstenediol 9.6851597 9.7012262 -0.016066073 5-androstenediol 9.5406199 9.7283697 -0.18774977 anemonin 10.83908 10.452088 0.38699165 anethole 8.5750103 9.1046352 -0.529625 angelicin 9.1344004 8.9495258 0.18487439 anhalamine 8.81429 8.6203499 0.19394024 1,4-anhydroxylitol 10.68096 10.602767 0.078193143 anilazine 9.1090803 9.2159653 -0.1068854 aniline 8.6458702 8.7292795 -0.083409071 aniline mustard 9.1471004 9.3702517 -0.22315191 anilofos 9.3522997 9.1300678 0.22223209 aniracetam 9.2843103 9.3936262 -0.10931585 p-anisaldehyde 9.4288197 9.6780767 -0.24925715 anise alcohol 9.0093203 9.4517307 -0.44241074 p-anisic acid 9.5214701 9.7043381 -0.18286848 anisole 9.11024 9.4083557 -0.29811534 anisomycin 8.9058104 9.1652956 -0.25948539 o-(p-anisoyl)benzoic acid 9.4267101 9.5905123 -0.16380225 anisuron 9.2634296 9.1635923 0.099837705 anisyl acetate 9.1702003 9.6210346 -0.45083508 anisylacetone 9.5066204 9.3995113 0.10710879 p-anol 8.6118402 8.9498234 -0.33798352 anserine 9.2948799 9.2338305 0.06104992 antazoline 9.0262899 9.0020466 0.024242977 anthracene 8.2527399 8.694232 -0.44149184 anthralin 9.0504904 8.9664402 0.084049746 anthramycin 8.7128296 8.4215364 0.29129362 anthranilic acid 8.7243204 9.0668259 -0.34250623 B-Anthraniloyl-a-aminopropio8.6461697 8.9397297 -0.29356009 anthrarobin 7.8233399 8.3079519 -0.48461229 anthrarufin 9.3782196 9.0797958 0.29842454 anthrone 9.5369797 9.2785072 0.25847304 anticapsin 10.11308 10.132787 -0.019707218 antimony -9.94594 -9.94594 -9.7699626E-14 antimony trioxide 10.23703 10.23703 2.8119729E-12 antimony trisulfide 8.8826103 9.4380293 -0.5554195 antipyrine 9.0067701 8.8550196 0.15175037 antirrhinin 11.77776 11.77776 -1.5244197E-09 apabetalone 8.63062 8.4611254 0.16949494 apazone 8.5742702 8.9405251 -0.36625499 apholate 8.5167799 8.6537094 -0.1369293 apigenin 9.0123701 8.9963789 0.015991237 apiole (parsley) 8.6323004 8.8243732 -0.19207312 apixaban 8.2948704 8.3147373 -0.019867187 aplaviroc 9.4918804 9.3215647 0.17031547 aplindore 8.5865602 8.7006636 -0.11410324 apoatropine 9.1205702 9.1538181 -0.033247679 apocodeine 8.7021704 8.4994822 0.20268795 apocynin 9.0445099 9.3309364 -0.28642654 apomorphine 8.7025404 8.3887091 0.31383091 appelide 11.08406 10.516938 0.56712228 apraclonidine 8.3215399 8.3725691 -0.051029164 apremilast 8.81217 8.9935503 -0.1813806 aprepitant 9.6356497 9.5453024 0.090347722 apricitabine 9.3389502 9.1149664 0.22398371 apricoxib 8.5076399 8.777813 -0.27017277 aprobarbital 10.50133 10.366566 0.13476454 apronalide 9.8799896 9.3617849 0.51820475 arabinose 10.9353 10.875701 0.059598643 L-arabinitol 11.0078 10.722363 0.28543633 2-arachidonoylglycerol 9.92589 9.5488834 0.37700662 arachidyl alcohol 10.89093 10.744421 0.1465093 ara-DMAP 8.6365004 8.819706 -0.18320608 aranidipine 9.0709295 9.3891802 -0.31825045 aramite 9.3259401 9.1097927 0.2161469 arbaclofen 9.4510803 9.3011036 0.14997666 arbaclofen placarbil 9.4638395 9.6883612 -0.22452135 arborescin 9.4870396 9.8164263 -0.329386 arbutin 9.2397699 9.6578197 -0.41804963 arecoline 9.2535496 9.5198174 -0.26626739 arginine 17.502781 17.228455 0.274326 arhalofenate 9.6082897 9.5396032 0.068686634 alpha-parinaric acid 8.3990803 8.4141779 -0.01509743 armodafanil 9.4149199 9.1195707 0.29534906 arogenic acid 10.04823 10.112233 -0.064003594 arotinolol 8.9672699 9.1699476 -0.20267805 arprinocid 9.01264 8.8055696 0.20707001 arsabenzene 9.2196503 9.75313 -0.53347981 arsacetin 9.2607298 9.2834501 -0.022720061 arsanilic acid 9.0860004 8.9598751 0.12612537 arsenic -14.74425 -14.74425 -2.2737368E-13 arsenic acid 11.51267 11.920825 -0.40815532 arsenicin A 8.9730902 8.9730902 3.6113335E-12 arsole 9.5572796 8.9827833 0.5744971 artemotil 10.41284 10.404652 0.0081881238 articaine 8.8232298 8.6919413 0.13128884 ar-turmerone 9.1550102 9.0969372 0.058072906 arzoxifene 8.4637003 8.1826506 0.2810494 ascaridole 10.44779 10.387988 0.059802033 ascorbic acid [vitamin C] 9.4248304 9.4821863 -0.057356674 asenapine 8.9478102 8.7624006 0.18540925 asoprisnil 9.2241602 8.710762 0.51339793 asparagine 9.4515896 9.243084 0.2085063 asparagusic acid 8.6945496 9.4001532 -0.70560288 asparenomycin B 9.54212 9.2901793 0.25194079 aspartame 9.6619101 9.5126629 0.1492468 aspartic acid 4.4650898 10.056377 -5.5912876 aspirin 9.91082 9.9068737 0.0039465413 astaxanthin 7.9799399 8.0089092 -0.028969303 asulam 9.2868204 9.3021564 -0.015336324 atagabalin 9.4385595 9.6769371 -0.23837715 ataluren 9.8279696 9.6450148 0.18295525 atenolol 9.0853701 9.0252209 0.060149174 atipamezole 9.10639 9.1773005 -0.070910275 atogepant 9.2239304 9.017251 0.20667858 atomoxetine 8.9266796 8.8026171 0.12406298 atopaxar 9.0947104 9.1908998 -0.096189886 atovaquone 9.3498201 9.4487047 -0.09888494 atrazine 9.1506796 8.9775896 0.17309064 atrolactamide 9.68046 9.5055885 0.17487144 atrolactic acid 9.6992702 10.00559 -0.30632073 atromentin 9.0401497 8.7259169 0.3142336 atropic acid 9.33883 9.7878895 -0.44905955 atropine 9.1445904 9.1324425 0.012147436 aurantium 9.3166904 9.567955 -0.2512655 aurin 8.9555397 8.9572372 -0.001697646 laurylamine dipropylenediami9.0725803 9.0947456 -0.022165759 avacopan 8.6904202 8.5036049 0.18681498 avagacestat 9.6496801 9.698041 -0.04836072 avatrombopag 8.79597 8.3973436 0.39862624 avibactam 9.8802004 9.8900023 -0.0098024365 aviglycine 9.5051699 9.2076368 0.2975336 avobenzone 9.3784304 9.3230648 0.055365067 axelopran 9.3800097 9.1590738 0.22093588 axitinib 8.6694498 8.8697348 -0.20028524 axomadol 8.9731703 8.9620581 0.011112348 azacitidine 9.6180296 9.5392599 0.078770004 azacyclonol 9.2416401 9.1525888 0.089051552 5-azaindole 8.7866201 8.7636652 0.022954529 azamethiphos 9.3659496 9.024066 0.34188387 azanidazole 9.2645597 9.5754795 -0.31091905 azaperone 8.6169901 9.0954494 -0.47845978 azaserine 9.9597797 9.8708277 0.088951863 azasetron 8.9471397 8.8427172 0.10442267 azathioprine 9.7972603 9.5212498 0.27601019 6-azauridine 9.8945999 9.5944843 0.30011532 AZddU 9.8197603 9.8197603 -1.8873791E-11 azelaic acid 11.39094 10.712995 0.67794555 azepane 9.2544699 9.7572584 -0.50278807 azepine 7.80264 8.0790386 -0.27639878 azete 9.6218901 9.6738901 -0.0520005 azetidine 9.3301401 9.8320045 -0.50186467 Azetidine-2-carboxylic acid 9.7603703 9.885705 -0.12533462 2-azetine 9.1729603 9.1308737 0.042086404 azidamfenicol 10.00416 9.9813929 0.022767168 azidocillin 9.8975801 9.7224379 0.17514183 azilsartan 9.1220703 9.0480042 0.074065983 azilsartan kamedoxomil 7.8266401 7.8266401 8.7896979E-10 azilsartan medoxomil 9.2347698 9.1683655 0.066404574 azimsulfuron 9.1430597 8.9646988 0.1783614 azinphos-ethyl 9.4208002 9.5275469 -0.10674653 azinphos-methyl 9.4239998 9.6886997 -0.26469952 azintamide 9.0812998 8.9996777 0.081622049 aziprotryn 9.2830095 9.6323204 -0.34931013 aziridine 9.9220104 9.8863564 0.035654109 1H-azirine 9.1090603 9.0420942 0.066965327 2H-azirine 10.94372 10.332717 0.6110028 azirinomycin 11.32408 10.468311 0.85576844 azithiram 7.8058901 7.7459755 0.059914693 azobenzene 9.2689695 8.9348278 0.3341423 2,2'-azobisisobutyronitrile 9.2787304 9.5689726 -0.290243 azocane 9.1101103 9.7523518 -0.64224178 azocine 8.6208601 8.7664223 -0.14556184 azodicarbonamide 9.8936596 9.7245274 0.16913265 aztreonam 8.2446899 8.2749281 -0.030237781 azulene 8.1660299 8.05023 0.11579967 azure A 7.3895001 7.6004333 -0.2109334 azure B 7.3796601 6.9674454 0.41221458 azure C 8.82304 8.7360535 0.086986564 2C-B 9.4691 8.9657888 0.5033108 baicalein 8.9923601 8.7968264 0.19553401 baikiain 9.6013498 9.3188 0.28254956 balapiravir 9.3549604 9.3549604 9.1251451E-12 balinol 9.3272305 9.4594908 -0.13226067 balipodect 8.5357904 8.9518747 -0.41608435 bamethan 9.0830803 8.8067036 0.27637643 BANAMITE 8.7649298 8.8584938 -0.093564093 barasertib 8.8070097 9.0999889 -0.29297939 barbital 10.68352 10.444991 0.23852925 barbituric acid 10.82504 10.580319 0.24472095 bardoxolone 10.58315 10.347754 0.23539668 bardoxolone methyl 10.55297 10.294782 0.25818813 baricitinib 8.8036604 8.9950457 -0.1913857 barthrin 8.9983196 8.6240101 0.37431014 BAS 454 06F 9.5907803 9.6122122 -0.021432368 BASF Lab 149 202F 9.7087803 9.6699419 0.038837634 batabulin sodium 7.9322701 7.9322701 -6.5565331E-12 bavisant 9.0519199 9.0432558 0.0086645745 Bayer polysiloxane insectici8.5051899 8.1815243 0.32366547 Bayer polysiloxane insectici8.5620298 8.5470104 0.015019176 Bay N-7133 9.0281801 9.6983328 -0.67015284 bazedoxifene 8.0113602 8.1898661 -0.17850573 BBSO 9.2887096 9.2600584 0.028651666 BCPC 8.75488 9.2509851 -0.49610475 BCX4430 8.6645203 8.3226423 0.34187812 B,B'-Dithiodi-(a-aminopropio9.4632101 9.63099 -0.16778018 BEC 8.8247204 8.6186676 0.20605247 beclabuvir 8.5248003 8.514533 0.010266636 beclamide 9.7480698 9.4374342 0.31063619 beclobrate 9.2319603 9.1215 0.11045983 beclometasone dipropionate 10.21275 10.082169 0.13058116 becocalcidiol 8.6763897 8.4896755 0.18671468 bederocin 8.5578604 8.6785698 -0.12070997 bedoradrine 8.90798 8.7064428 0.20153722 befetupitant 9.2839804 9.0103588 0.27362084 beflubutamid 9.8202896 9.62603 0.19426019 befunolol 8.9277802 8.7199278 0.20785199 begacestat 10.11103 10.370601 -0.25957116 behenyl hydroxyethyl imidazo9.1212997 9.0908899 0.030409874 belinostat 9.2254 9.2504063 -0.025006082 belnacasan 8.97435 9.0314331 -0.057083428 bemegride 10.29218 9.9303102 0.36186931 bemotrizinol 8.7119398 8.8150806 -0.10314082 bempedoic acid 11.07524 10.526612 0.54862761 benazolin 9.2958603 9.1470718 0.14878841 benazolin-ethyl 9.2483301 9.1070271 0.14130262 benclothiaz 9.0576801 9.4013977 -0.34371737 bendamustine 8.6470404 8.8646688 -0.21762891 bendazac 8.69909 9.0618 -0.36270979 bendiocarb 9.0618 9.1015635 -0.039763205 benefin 10.42954 10.206638 0.22290163 benfluorex 9.5843697 9.5313644 0.053005222 benfuresate 8.7291098 9.1843176 -0.45520779 benmoxine 9.2439003 9.066082 0.17781815 benomyl 8.7895098 8.836174 -0.04666413 benoxacor 8.9424601 9.3519039 -0.40944359 benquinox 8.49156 8.7428904 -0.25133008 benserazide 8.9034004 8.9272327 -0.023833066 bensulfuron-methyl 9.2055101 9.3391399 -0.13362952 bensulide 9.54564 10.003119 -0.45747951 bensultap 9.1072502 9.2912865 -0.18403631 bentaluron 8.9554195 8.8102846 0.14513566 bentazone 9.47052 9.190485 0.28003538 benthiavalicarb 9.5041199 9.1263561 0.37776357 bentranil 9.2412901 9.1459637 0.095326364 benz[e]acephenanthrylene 8.6572304 8.240737 0.41649282 benzadox 9.1142702 9.514142 -0.39987186 beta-benzalbutyramide 8.8466301 9.249898 -0.40326756 benzal chloride 9.9386797 9.6915703 0.24710955 benzaldehyde 10.05328 9.9232473 0.13003269 benzalkonium chloride 8.2530298 8.5475111 -0.29448119 benzamacril-isobutyl 9.1127005 9.3369093 -0.224209 benzamide 9.7202101 9.4470387 0.27317104 benzanilide 8.7603102 8.912077 -0.15176657 1,2-benzanthracene 8.32411 8.4842968 -0.16018672 benzanthrone 8.7834597 8.7861881 -0.0027284028 benzarone 9.0900497 8.8905354 0.19951463 benzbromarone 9.1756802 8.8627081 0.31297162 benzene 9.7516499 9.6545734 0.097076759 1,2-benzenedithiol 8.7106895 8.7654562 -0.05476578 benzenesulfonamide 10.41548 10.100183 0.31529647 benzene sulfonic acid 10.36174 9.9213448 0.44039539 benzestrol 8.9604197 8.8008471 0.15957265 benzfendizone 8.5474396 9.0661354 -0.51869559 benzhydrylamine 9.3992996 9.5080366 -0.10873664 benzidine 8.0248003 7.8311448 0.19365512 benzil 10.0062 9.7148476 0.29135233 benzilic acid 9.6546097 9.6638327 -0.0092229657 benzimidazole 8.9138803 9.1043501 -0.19047005 benzipram 9.4322796 9.0595274 0.37275285 1,2-benzisothiazoline-3-one 8.7422705 9.3371067 -0.59483629 benznidazole 9.73913 9.7928162 -0.053686336 benzobicyclon 9.42237 9.5448399 -0.12246998 benzocaine 8.9120703 9.1030645 -0.19099416 benzoctamine 9.1616497 8.9107294 0.25092053 benzodepa 9.7014704 9.4236431 0.27782729 benzofenap 9.4637299 9.5801907 -0.11646082 benzofluor 8.9609804 9.1560879 -0.19510826 benzo[j]fluoranthene 8.4384604 8.240737 0.19772281 benzo[k]fluoranthene 8.4023895 8.2569275 0.14546245 benzofuran 9.0651598 8.8562784 0.20888172 benzohydrol 9.5202303 9.3066864 0.21354358 benzohydroxamic acid 9.98557 9.7415867 0.24398309 benzoic acid 10.12596 9.95751 0.16844964 benzoic anhydride 10.13765 9.7725506 0.36509907 benzonitrile 10.09701 9.8907375 0.20627292 benzo[ghi]perylene 8.1399498 8.0566015 0.083348677 benzophenone 9.9589596 9.5085344 0.45042589 benzophenone-2 9.1289997 9.1240797 0.0049202549 benzophenone-9 8.8993196 8.9302397 -0.030919584 1,2-benzopyran 8.6928997 8.8777857 -0.18488607 benzo[e]pyrene 8.3337803 8.3221426 0.01163757 1,2-benzoquinone 10.27217 10.621983 -0.34981278 1,4-benzoquinone 10.9198 10.189226 0.73057413 benzo(RST)pentaphene 7.98808 8.1437197 -0.15564008 benzotemap 9.50704 9.5427437 -0.035703361 benzothiadiazine 8.4197302 8.6502485 -0.23051885 1,2,3-benzotriazole 9.4255896 9.5654888 -0.13989909 benzotrichloride 10.05997 9.8202524 0.23971775 benzotrifluoride 10.33569 10.338904 -0.0032139071 benztropine 9.0925903 8.9096766 0.18291357 benzovindiflupyr 8.6885796 9.186738 -0.49815762 benzoxazinone 8.8597603 9.0579672 -0.19820748 benzoxazole 9.56108 9.4472876 0.11379199 benzoximate 9.0823402 9.1343431 -0.052002717 benzoyl chloride 10.29557 9.8154488 0.48012146 benzoyl peroxide 10.15849 9.6570082 0.50148177 benzoylprop-ethyl 9.0926399 9.1823854 -0.08974576 3,4-benzphenanthrene 8.5348396 8.3922062 0.14263421 benzphetamine 9.0618296 8.8997164 0.16211317 benzpyrinium bromide 12.65575 12.65575 -0.00000001579679 benzthiazole 9.2382698 9.1995497 0.038720623 benzthiazuron 8.9537296 8.8812265 0.072503105 benzydamine 8.5220804 8.8049831 -0.28290296 benzyl acetate 9.5761299 9.8470783 -0.27094811 benzyladenine 8.9957895 8.9584141 0.037376013 6-benzyladenine 8.7329397 8.8363152 -0.10337468 benzyl alcohol 9.4337797 9.6933098 -0.25953022 benzylamine 9.4273996 9.2068214 0.22057883 6-benzylaminopurine 8.6502304 8.8363152 -0.18608469 N-benzylaniline 8.4948997 8.6658239 -0.17092419 benzyl benzoate 9.5654001 9.4497051 0.11569473 benzyl bromide 9.7313404 9.5620518 0.16928808 benzyl 2-bromoethyl ether 9.5592604 9.5870161 -0.027756136 benzyl butyrate 9.3190298 9.8147974 -0.49576753 benzyl carbamate 9.3210497 9.4048529 -0.083802506 benzyl chloride 9.6658096 9.5656366 0.10017301 benzyl cinnamate 9.4836197 9.181036 0.30258432 benzyl cyanide 9.8509502 9.9967442 -0.1457939 benzyl ether 9.46737 8.7156324 0.75173795 benzylethyldimethylammonium 8.7555904 8.4611092 0.29448119 benzyl ethyl ether 9.4180403 9.6386318 -0.22059177 benzylfentanyl 9.13978 9.0622807 0.077499397 benzyl formate 9.67523 9.8526793 -0.17744926 benzylhydrochlorothiazide 9.6328001 9.6526766 -0.019876599 benzylideneacetone 9.39709 9.3887186 0.0083710728 benzylideneaniline 8.9706202 8.9293737 0.041245826 benzyl methyl ether 9.4310198 9.6474304 -0.21641006 1-benzyl-3-methyl-2-thiourea8.5872297 8.8323994 -0.24516973 benzylpenicillinic acid 9.5046797 9.6080418 -0.10336175 benzylpenicillin potassium 11.12452 11.12452 1.9734259E-10 benzylpenicillin sodium 11.34203 11.044674 0.29735583 o-benzylphenol 9.0939503 8.9978914 0.096058965 p-benzyl phenol 9.0285301 8.9287539 0.099776112 benzylpiperazine 9.1837797 8.9855146 0.19826573 benzylsulfamide 9.0853205 9.1814842 -0.096163958 p-(benzylsulfonamido)benzoic9.3696003 9.2050524 0.16454783 benzyl 2,2,2-trichloroacetim9.56423 9.7683897 -0.20415992 benzyltrichlorosilane 9.4452896 9.4594479 -0.014158214 2-benzyl-4,4,6-trimethyl-1,39.4562197 9.7123194 -0.25609955 benzylurea 9.5951595 9.2548494 0.34031078 bephenium 12.1134 12.502707 -0.38930762 bergapten 9.0417099 8.8576174 0.18409251 bermoprofen 9.0314903 8.7367115 0.29477814 besonprodil 9.2137203 8.8540163 0.35970363 bespiridine 8.7109499 8.4548893 0.25606048 betahistine 9.1478701 9.2845039 -0.13663419 betaine 8.8224802 8.2343349 0.58814472 beta ionone epoxide 10.59354 9.89956 0.69397986 betamipron 9.6622105 9.6768169 -0.014606535 betanidine 11.4731 11.862371 -0.38927168 betazole 9.5094995 9.1297531 0.379747 bethanechol chloride 8.2367697 8.2324181 0.004351906 bethanidine 8.9014997 9.280942 -0.37944156 betonicine 9.0375996 9.0860758 -0.048475623 betrixaban 8.5113001 8.7603159 -0.24901593 betulin 9.8261995 9.9100494 -0.083849423 betulinic acid 9.8768997 9.9296103 -0.052710716 bevenopran 9.5843096 9.0733938 0.51091617 bevirimat 9.9543695 9.9663486 -0.011978311 bezafibrate 9.2195101 9.263134 -0.043624017 2C-B FLY 8.6503696 9.1561918 -0.50582176 BHC (hexachlorocyclohexane) 10.33084 10.361904 -0.031063695 BHT 8.6825304 9.1908884 -0.5083583 BIA 10-2474 9.0210199 8.9356766 0.085343435 bialaphos 9.7641001 9.3523359 0.41176447 bibenzonium bromide 5.9979401 6.3115177 -0.31357747 bibenzyl 9.4454603 9.2314348 0.21402478 BIBW 2992 8.3943396 8.3309889 0.063350819 bicalutamide 9.4538498 9.0902519 0.36359817 bicine 9.5804596 10.012631 -0.43217164 bicozamycin 9.9422503 10.241703 -0.29945323 bictegravir 8.86765 9.0581951 -0.19054471 bicyclonona-1,3-diene 8.7781401 9.1444759 -0.36633566 bicyclo(1,5)octane 10.63492 10.340649 0.29427168 (1,1'-bicyclopentyl)-2-yl 2-10.50325 10.200965 0.30228475 bicyclopyrone 9.99512 10.003671 -0.008550548 bifemelane 9.1160097 8.892931 0.22307909 bifenazate 8.5754204 8.7933559 -0.21793565 bifenox 9.7112598 9.718133 -0.0068726609 bifeprunox 8.8789902 8.7342567 0.14473371 bifluranol 9.2142801 9.3741217 -0.15984172 binimetinib 8.96632 8.3750038 0.59131664 binapacryl 10.57361 10.207658 0.36595252 binedaline 8.1924896 8.4453602 -0.25286987 bioallethrin 9.6630001 9.5766964 0.086303622 biochanin A 9.0878 8.8721828 0.21561687 N-1386 biocide 10.58489 10.86006 -0.27516982 bioethanomethrin 9.1686497 8.8970814 0.27156898 biopterin 8.8424902 9.5681181 -0.7256282 biotin 9.4464998 9.306119 0.1403808 biotinyllysine 9.2615204 9.5619335 -0.30041328 biphenamine 9.1123304 8.8721561 0.24017394 biphenyl 8.9168196 9.0242472 -0.10742716 p-biphenylamine 8.3257399 8.3930893 -0.067348972 biphenylene 8.5759897 8.7146492 -0.13865882 N-biphenylmethylpyrid-4-one 8.7321701 9.1411324 -0.40896273 2,2'-bipyridine 9.3255701 9.1343336 0.19123632 birabresib 8.5841999 8.6279154 -0.043715324 biricodar 9.4254503 9.1756535 0.24979638 alpha-bisabolene 9.3151398 9.0166025 0.29853743 beta-bisabolene 9.3424501 9.07864 0.26381037 gamma-bisabolene 9.0895796 8.972229 0.11735089 bisabolol 9.2061901 9.1854506 0.020739421 bisabolol oxide A 9.3239002 9.6667347 -0.34283489 bisacodyl 9.2786398 9.2412071 0.037432473 bisazir 9.0837803 8.7870436 0.29673645 2,5-bis(1-aziridinyl)-3,6-bi9.4600897 9.1750526 0.28503704 2,3,4,5 bis(2-butylene) tetr9.7126303 9.6609726 0.051657323 N,N-bis(carboxymethyl)-alani7.4322701 6.8164611 0.6158089 bis(difluoromethylsulfonyl)z10.00814 10.00814 2.9700686E-12 3,5-Bis(1,1-dimethylethyl)-48.8914099 8.8841753 0.0072343592 (2,2-bis((3,7-dimethyl-2,6-o9.3034496 9.3907137 -0.087264091 Bismark Brown Y 8.2368803 8.3164101 -0.079530202 bismuth 28.50646 28.50646 -2.0250468E-13 bismuth oxychloride 9.6986103 9.6986103 1.6484591E-12 bismuth phosphate 10.08443 10.08443 3.4088288E-12 bismuth subsalicylate 8.7492504 8.7492504 -1.8307134E-11 bisoxatin 8.7221003 8.9055567 -0.18345636 bisoxatin acetate 8.7478104 8.8515425 -0.10373231 bisphenol A 8.9478102 8.7000341 0.24777596 bisphenol B 8.9300604 8.6927805 0.23727933 bispyribac 9.5133495 9.2891932 0.22415727 1,4-bis(trichloromethyl)benz10.30585 10.004148 0.30170143 bistrifluron 9.5292501 9.5785484 -0.049298164 bithionol 9.0611296 8.4980755 0.56305498 bitopertin 9.5433302 9.5469837 -0.0036534788 bitoscanate 8.75844 8.9204578 -0.16201746 biuret 9.9364204 9.7883825 0.14803728 blonanserin 8.7280703 8.5791121 0.14895752 blue-emitting molecule 8.36728 8.3023605 0.064919859 BMS-182193 9.5181503 9.3816538 0.13649574 BMS-186318 9.0320196 9.2129993 -0.18097897 BMS-248 9.3097 9.1866789 0.12302105 BMY7378 8.5919504 8.5484438 0.043505736 boceprevir 9.3141003 9.533164 -0.21906413 bolazine 9.20154 9.3766575 -0.17511772 boldione 10.15861 9.7974138 0.36119646 bomyl 9.9580097 10.028785 -0.070774414 borane 11.85566 11.85566 -8.1712415E-13 borax 10.69375 11.458565 -0.76481479 borazine 10.59791 10.59791 1.4210855E-14 boric acid 12.65829 12.65829 8.5087493E-13 bornane 10.90627 10.305025 0.60124481 d-borneol 10.64862 10.41091 0.23771071 d-bornyl a-bromoisovalerate 10.94537 10.574117 0.37125352 bornyl acetate 10.92946 10.724493 0.20496692 bornyl chloride 10.19909 10.290862 -0.091771938 d-bornyl isovalerate 10.89433 10.809443 0.084886849 borole 9.2645798 8.6401567 0.62442327 boron carbide 9.08953 8.99652 0.093009733 boron nitrate 13.47571 13.47571 -2.2559732E-13 boron phosphate 13.12782 13.12782 5.7909233E-13 boron phosphide 8.7938004 8.7938004 1.9149127E-12 boron sodium oxide, tetrahyd9.7558804 9.7558804 -3.5704772E-13 boron sulfide 9.3871002 8.8047304 0.58236927 boron trichloride 12.31918 12.31918 1.1262102E-12 boron trifluoride 14.93872 14.93872 1.1901591E-13 boron trioxide 13.56087 13.56087 -6.0396133E-13 boscalid 8.8214502 8.9546499 -0.13319977 bosutinib 8.7292805 8.8741522 -0.1448724 bourgeonal 9.4973602 9.4357157 0.06164417 bradanicline 9.3471098 8.9302893 0.41682044 brallobarbital 10.59019 10.28108 0.30910948 brasassian 10.18601 10.195272 -0.0092628654 brecanavir 9.1436195 9.260334 -0.11671405 brevicomin 10.63361 10.747875 -0.11426549 brexpiprazole 8.7563496 8.4562483 0.30010194 brifentanil 9.2447701 9.8480911 -0.60332131 brigatinib 7.85672 7.5088315 0.34788853 brilanestrant 9.0039797 9.0421314 -0.0381517 brimonidine 8.8364296 9.0177307 -0.18130101 brincidofovir 9.3052797 9.3170595 -0.011779304 brivaracetam 9.4275599 9.5230932 -0.095533542 BRL42715 9.5815401 9.3601103 0.22143011 bromacil 9.4518995 9.8848972 -0.43299705 bromadiolone 9.0654697 9.0690908 -0.003620899 bromal hydrate 10.98219 11.093042 -0.11085279 bromazepam 9.28967 9.2396708 0.049999345 Bromcresol green 9.4714804 9.5681715 -0.096691974 Bromcresol purple 9.2932596 9.2669735 0.026286859 bromethalin 9.8147202 9.8563995 -0.041679438 bromethrin 9.2442303 9.279748 -0.035517886 bromfenac 8.9593201 8.9082279 0.051091965 bromfeniramine 9.16677 9.1613131 0.0054566222 bromhexine 8.8193798 8.9099703 -0.090589881 bromine 11.51579 10.909582 0.60620737 bromisovalum 9.9756403 9.6699286 0.30571163 N-bromoacetamide 10.13276 10.161809 -0.029048681 2-bromoacetamide 9.9861097 10.161809 -0.17569868 p-bromoacetanilide 9.0086803 9.2268171 -0.21813725 bromoacetic acid 11.17727 10.864436 0.31283388 bromoacetone 10.92073 10.403923 0.5168066 2'-bromoacetophenone 9.8755903 10.005932 -0.1303414 alpha-bromoacetophenone 10.18512 9.8291149 0.35600492 para-bromoamphetamine 9.5167198 9.2763662 0.24035372 3-bromoaniline 8.8241196 8.8586054 -0.034485791 4-bromoaniline 8.7814198 8.8586054 -0.077185795 2-bromobenzaldehyde 10.09402 10.110553 -0.016532766 3-bromobenzaldehyde 10.05235 10.048344 0.0040059821 bromobenzene 9.8060303 9.7759686 0.030061359 2-bromobenzoic acid 9.9896603 10.144815 -0.15515582 4-bromobenzoic acid 10.17659 10.082607 0.093982928 1-bromobutane 10.92609 10.584122 0.34196863 2-bromobutanoic acid 10.96711 10.534705 0.43240517 bromobutide 9.6062298 9.1772928 0.42893711 3-bromo-d-camphor 10.42086 10.43893 -0.018069629 bromochlorodifluoromethane 11.25837 11.190597 0.067773536 3-Bromo-1-chloro-5,5-dimethy10.30864 9.9660778 0.3425622 3-bromo-5-chlorotyrosine 9.3273001 9.0269928 0.30030721 bromo-DDT 9.8215904 9.7304487 0.091141105 4-Bromo-2,5-dimethoxy-1-benz8.7764301 8.8213224 -0.044892091 bromoethane 10.91078 10.289884 0.62089658 1-bromohexane 10.92852 10.5174 0.41111991 1-bromonaphthalene 8.98458 9.2582779 -0.27369809 5-bromonicotinic acid 10.42763 10.32279 0.10483982 2-bromophenol 9.30756 9.4030027 -0.095442407 4-bromophenol 9.3107796 9.3191032 -0.0083235977 bromophenoxim 9.6986399 9.4933329 0.20530671 2-bromo-1-phenylethanone 10.17063 9.8291149 0.34151492 bromophos 9.1504602 9.088872 0.061588123 bromophos ethyl 9.12922 9.0857134 0.04350701 bromopride 8.63134 8.5714178 0.059921868 1-bromopropane 10.92861 10.92861 1.3518076E-12 2-bromopropane 10.86738 10.86738 1.3464785E-12 bromopropylate 9.7742395 9.865036 -0.090796083 5-bromosalicylhydroxamic aci9.6352301 9.5393133 0.095916465 5-bromosalicylic acid acetat9.98137 10.030758 -0.049388319 bromosaligenin 9.3366899 9.5139875 -0.1772975 N-bromosuccinimide 10.31508 10.250729 0.064351641 8-bromotheophyllinate 9.0665398 9.0986862 -0.032146066 bromothymol blue 9.2175999 9.3560314 -0.13843106 4-bromotoluene 9.5455799 9.6381121 -0.092532501 4-bromo-1,1,2-trifluorobuten10.47368 10.76272 -0.28903973 1-bromo-2-(trifluoromethoxy)9.8719797 10.221631 -0.34965113 5-bromotryptophan 8.6745005 8.7346506 -0.060150649 3-bromotyrosine 9.2733402 9.122674 0.15066627 5-bromouracil 9.6855097 9.7355852 -0.050075285 bromoxynil 9.7866201 9.8652639 -0.078643896 bromperidol 9.2326403 9.3210077 -0.088367566 bromphenol blue 9.5357304 9.7267141 -0.19098374 brompyrazon 9.1415796 9.3718328 -0.23025255 bromuconazole 9.6164103 9.557827 0.058583222 Bronodox L 11.37697 10.625804 0.75116646 bronopol 11.21087 10.491014 0.71985549 brostallicin 8.1880503 8.023015 0.16503468 brotizolam 9.4439096 9.4546766 -0.010767064 broxyquinoline 9.0394697 9.2654238 -0.22595343 B,B'-Thiodi-(a-aminopropioni9.3910599 9.4819345 -0.090874836 bucetin 8.7621298 8.9611845 -0.19905487 bucillamine 9.4573402 9.2815447 0.17579535 buclizine 9.0521803 9.0593615 -0.0071811578 buclosamide 9.2856197 8.9649601 0.32066017 bucolome 10.40846 9.9123993 0.49606064 bucrylate 11.13504 10.867465 0.26757479 budralazine 8.1406603 8.2294416 -0.088781737 bufadienolide 9.4409504 9.8852329 -0.44428286 bufencarb 9.4737301 9.2641811 0.2095492 buflomedil 8.7010603 9.1146812 -0.41362101 buformin 9.2470102 8.5877018 0.65930796 bufotenin 8.3162003 7.9705334 0.34566644 bufuralol 8.8682404 8.6170187 0.25122124 bulbocapnine 8.6146402 8.3935623 0.22107747 bulbosan 11.12505 10.615037 0.51001269 bullvalene 9.4368896 8.5875206 0.84936976 bumadizone 9.1557102 9.1665039 -0.010794304 bumetanide 8.8102303 9.2088051 -0.39857545 buminafos 8.8708897 9.2606134 -0.38972339 Bunema 7.6231799 7.6231799 8.970602E-12 buparlisib 8.8035898 8.8576345 -0.054044928 bupirimate 8.7818003 8.8251905 -0.043390874 bupivacaine 9.1258802 8.745923 0.37995666 bupranolol 8.7708502 8.9442596 -0.17340983 buprofezin 9.3400698 9.0222301 0.31783953 buramate 9.8009701 9.5108271 0.29014307 busulfan 11.47586 10.457516 1.018344 butabarbital sodium 8.77845 8.7947874 -0.01633724 butacarb 9.4672699 9.1073561 0.35991421 butacetin 8.6434498 8.7366161 -0.093166322 butachlor 9.7107201 9.3178358 0.39288381 butaclamol 8.8077602 8.967659 -0.15989865 1,3-butadiene 9.5067902 9.7325993 -0.22580883 butafenacil 9.2645903 9.4781818 -0.21359138 butalbital 10.48542 10.307422 0.17799868 butam 9.2926598 9.1772575 0.11540285 butamifos 9.57477 9.3539133 0.22085679 n-butane 11.35208 11.35208 -1.5365487E-12 1,2-butanediol 10.88845 10.634666 0.25378323 1,3-butanediol 10.76158 10.340545 0.42103526 1,4-butanediol 10.8943 10.328205 0.56609488 2,3-butanediol 10.89506 10.446068 0.44899192 1-butanethiol 9.1945496 10.014731 -0.82018143 1,2,4-butanetriol 10.78373 10.415881 0.36784908 1-butanol 10.88732 10.650462 0.23685788 2-butanol 11.04439 11.04439 -7.3541173E-13 2-butanone 10.65942 10.151345 0.50807488 2-butanone oxime 10.09013 9.7629852 0.32714435 2-butanone peroxide 10.86574 11.029654 -0.16391398 6-butan-2-ylquinoline 9.1553202 9.0141296 0.14119016 8-butan-2-ylquinoline 9.0666199 9.0738707 -0.0072505665 butathiofos 9.4133301 9.4221954 -0.0088654347 butenachlor 9.6597204 9.2094574 0.45026222 1-butene 10.03582 9.9195242 0.11629546 cis-2-butene 9.6982203 9.876482 -0.17826158 trans-2-butene 9.6433096 9.876482 -0.23317158 butethal 10.68314 10.35742 0.32571983 buthalital sodium 8.5237503 8.5561028 -0.032352664 buthidazole 9.3732204 8.9621201 0.41110036 buthionine sulfoximine 9.3513403 9.3513403 3.4372505E-12 buthiuron 9.6325102 9.3266621 0.30584815 butocarboxim 9.0972795 9.1724806 -0.075200789 butoctamide 9.73104 9.8664274 -0.13538779 butofilolol 9.2044296 9.4684505 -0.26402065 butonate 10.4752 10.022236 0.45296368 butopyronoxyl 10.20544 10.513233 -0.3077932 butoxycaine 9.2232704 9.1796484 0.043621156 butoxycarboxim 9.9180603 9.5279541 0.39010546 2-butoxy ethanol 10.54836 10.651334 -0.10297388 2-butoxyethanol acetate 10.68415 10.86799 -0.18384016 2-(2-butoxyethoxy)ethylthioc9.7346697 9.7501354 -0.0154654 (2-butoxyethyl)benzene 9.4630203 9.8435583 -0.38053861 butoxytetraglycol 10.57935 10.700695 -0.12134498 butoxytriglycol 10.5729 10.678905 -0.10600473 butralin 9.9937496 9.7607841 0.23296602 butriptyline 9.0102196 8.7093792 0.30084088 butrizol 10.0913 9.7016144 0.3896856 butroxydim 9.5800695 9.6293736 -0.049303953 buturon 9.19135 9.19135 -9.1880281E-11 n-butyl acetate 11.24464 10.864873 0.37976751 sec-butyl acetate 11.16522 10.953664 0.21155578 tert-butyl acetate 10.95234 10.317398 0.63494176 n-butylamine 9.3921404 9.8180523 -0.42591262 sec-butylamine 9.3751001 9.5229921 -0.14789239 t-butylamine 9.4653702 9.5468121 -0.081442185 n-butyl 4-aminobenzoate 8.9106598 9.1826611 -0.27200118 n-butyl 4-aminobenzoate 8.9142704 9.1826611 -0.26839116 butylate 9.3942499 9.4239178 -0.029667668 butyl benzyl phthalate 9.4050903 9.7024965 -0.29740691 butyl carbitol acetate 10.61725 10.87808 -0.26083064 butyl cyanoacrylate 11.15002 11.190176 -0.040156238 N-butyldiethanolamine 9.2340899 9.5119514 -0.27786177 2-sec-butyl-4,5-dihydrothiaz9.1107397 9.0967369 0.014003348 1,2 butylene oxide 11.2556 10.929641 0.32595947 butyl formate 11.15064 10.911662 0.23897775 O-Butylhomoserine 9.9376001 9.84935 0.088250145 t-butylhydroquinone 8.6558199 8.8715792 -0.21575962 butyl 2-methylbutyrate 11.04281 10.841405 0.20140502 4-butylmorpholine 9.2026501 9.9623041 -0.75965446 butyl nitrate 12.00571 11.896065 0.10964523 n-butylnitrite 10.66089 10.676327 -0.015436748 2-butyl-1-octanol 10.80852 10.649378 0.15914223 butylparaben 9.5164604 9.5456829 -0.029222716 tert-butyl peroxybenzoate 10.09278 9.9044685 0.18831179 butylphenyl methylpropional 9.4745598 9.3191547 0.15540488 butyl phthalyl butyl glycola10.39607 10.51279 -0.11672004 n-butyl propanoate 11.15535 10.806656 0.34869367 butyraldehyde 10.62497 10.736126 -0.11115608 butyrfentanil 9.1036797 9.2159109 -0.11223076 n-butyric acid 11.35891 10.953342 0.40556768 butyrin 11.10102 11.009912 0.09110795 g-Butyrobetaine 8.2641802 8.1477509 0.11642878 g-butyrolactone 11.15551 10.881657 0.27385342 butyronitrile 11.88648 11.786886 0.099593319 BW 348U87 8.9091997 9.2237053 -0.3145051 cabozantinib 8.9194803 8.8675728 0.051907215 cacodylic acid 10.45442 10.837514 -0.3830944 cadaverine 9.4057503 9.459856 -0.054106057 cadmium 0 1.7230661E-13 -1.7230661E-13 cadmium salicylate 11.60145 11.60145 -7.0237149E-12 cadmium selenide 7.3481998 7.3481998 1.6155965E-12 cadmium sulfide 7.5146899 7.5146899 3.4061642E-12 cadmium telluride 8.1233997 8.1233997 -3.4106051E-12 cadusafos 9.4951401 9.5412188 -0.046078734 cafenstrole 9.64007 9.5330372 0.10703284 caffeic acid 9.0472898 9.2449589 -0.19766894 caffeine 8.9830103 8.9764223 0.0065873442 caffeyl alcohol 8.6337099 8.8341799 -0.20046972 calcifediol 8.8571701 8.5917006 0.26546904 calcipotriol 8.3734503 8.3137379 0.05971225 calcitroic acid 8.4658499 8.8503313 -0.38448164 calophyllolid 9.0711699 9.1698236 -0.098653302 camazepam 9.0143995 9.0202141 -0.0058140545 cambendazole 8.5049696 8.8945551 -0.38958547 cambendichlor 9.28825 9.4327154 -0.14446561 camcinal 8.87749 8.6821461 0.19534376 camobucol 8.9268999 8.727622 0.19927828 camphene 9.9186697 10.034656 -0.11598534 camphor 10.25415 10.391493 -0.13734244 d-camphorcarboxylic acid 10.45729 10.542578 -0.0852881 camptothecin 8.9327602 8.6205645 0.31219569 canagliflozin 8.9312401 8.8195305 0.11170954 canaline 9.8924704 9.7831097 0.10936044 canavanine 9.6577301 9.4878082 0.16992162 canavanosuccinic acid 9.8010397 9.5127192 0.28832108 candicine 11.8082 11.508848 0.29935208 canertinib 8.3843603 8.4917583 -0.10739817 canfosfamide 9.9467001 9.6770763 0.26962328 cangrelor 8.7325497 8.9523239 -0.21977368 cannabicyclohexanol 8.9974804 9.2549524 -0.25747237 cannabidiol 8.95611 8.3855667 0.57054311 cannabinol 8.5096998 8.4787807 0.030919237 cannabipiperidiethanone 8.5192299 8.4153996 0.10383081 canthoxal 9.0359602 9.6039124 -0.56795239 capecitabine 9.5440302 9.1446676 0.39936244 capramide DEA 9.6667099 9.6519852 0.014724937 capravirine 9.2558002 9.0282164 0.22758321 capric acid 11.3532 10.745823 0.60737711 caproic acid 11.36002 10.851024 0.50899655 caprolactam 9.9050598 10.043139 -0.13807954 capromorelin 9.5293999 9.4715691 0.057830531 caprylic acid 11.36056 10.784005 0.57655478 capryloamphoglycinate 8.2567701 9.2880173 -1.0312471 N-caprylyldiethanolamine 9.2448997 9.3953485 -0.15044837 capsaicin 8.8349104 8.74757 0.08734002 captafol 9.8402004 10.02132 -0.18112063 captan 9.8488102 9.9199266 -0.071116552 captopril 9.37255 9.4682198 -0.095669724 capuride 9.8770905 9.8343401 0.042749465 carane 10.29647 10.453153 -0.15668303 carbachol 8.70609 8.70609 0.00000000082008 carbamazepine 9.0242205 8.6134777 0.41074184 carbamide peroxide 9.8150396 10.270938 -0.45589805 carbamorph 8.6589899 8.4157267 0.24326381 N-carbamoyl-2-(p-hydroxyphen9.37883 9.1105232 0.268307 O-carbamyl-D-serine 9.8449402 9.9773722 -0.13243195 S-carbamyl-L-cysteine 9.7200899 9.8950739 -0.17498364 carbamyltaurine 9.9053402 9.916564 -0.011224267 carbanolate 9.0898199 9.1651897 -0.07537014 carbarsone 9.1603403 9.0996962 0.060643632 carbaryl 8.8210697 8.9113874 -0.090317607 carbendazim 8.7916403 9.0555735 -0.26393381 carbenoxolone 10.05859 10.10928 -0.050689425 carbetamide 8.8957596 9.0875778 -0.19181737 carbetidine 9.03971 9.3294888 -0.28977862 carbidopa 8.8586397 9.0805559 -0.22191556 carbimazole 8.3672895 9.0439272 -0.67663699 carbocloral 10.57305 10.758769 -0.18571919 carbocysteine 9.25313 9.450099 -0.19696936 carbofuran 9.0159798 8.8860006 0.12997933 beta-carboline 8.6986704 8.4966326 0.20203759 carbon 0 9.2067565E-13 -9.2067565E-13 carbonic acid 11.95301 11.261725 0.69128495 carbonic acid, compd. with g8.9881096 9.2579231 -0.2698127 carbonic acid, (3Z)-3-hexen-9.78057 10.224453 -0.44388273 carbonylcyanide 4-(trifluoro9.4471598 9.8545265 -0.40736619 carbophenothion 8.8071203 8.7298775 0.07724236 carboxazole 9.4918499 9.4750385 0.016811183 carboxide 9.0813704 9.1914368 -0.1100667 carboxin 8.7746897 8.7940617 -0.019371403 2-[S-(B-Carboxy-B-aminoethyl8.7940702 8.7223549 0.071714722 Beta-carboxyaspartic acid 10.39237 10.499884 -0.10751345 N-carboxybiotinyllysine 9.2810698 8.9466553 0.33441448 2-Carboxy-3-carboxymethyl-4-9.4265499 9.1230125 0.30353776 cis-a-(Carboxy-cyclopropyl) 9.9971304 10.005411 -0.0082815466 3-Carboxy-6,7-dihydroxy-1,2,9.1249905 8.8248148 0.3001754 N-a-(1-Carboxyethyl)-arginin16.62826 17.249243 -0.62098193 S-(B-Carboxyethyl)-cysteine 9.2809696 9.4018984 -0.12092858 N-(D-1-carboxyethyl)-lysine 16.042761 16.042761 1.4768631E-11 tris(2-carboxyethyl)phosphin9.5615396 9.4488182 0.11272133 N-(1-Carboxyethyl)-taurine 9.7792196 10.202876 -0.42365631 gamma-carboxyglutamic acid 10.2281 10.362379 -0.13427861 3-Carboxy-4-hydroxyphenylala9.4097605 9.3081865 0.10157353 D-(3-Carboxy-4-hydroxyphenyl9.9273701 9.5730228 0.35434672 S-(2-Carboxyisopropyl)-cyste9.30476 9.2907219 0.014038499 S-(Carboxymethyl)-homocystei9.2846003 9.3716516 -0.087051295 m-Carboxyphenylalanine 9.9683599 9.4466286 0.52173114 m-Carboxyphenylglycine 10.03939 9.7258883 0.31350145 S-(2-Carboxypropyl)-cysteine9.2934599 9.1937723 0.09968777 B-(6-Carboxy-a-pyran-3-yl)al9.16362 9.3666182 -0.20299837 m-Carboxytyrosine 9.4097605 9.3081865 0.10157353 carbromal 9.9784498 9.5842905 0.39415911 carbubarb 10.12453 10.11813 0.0064006699 carbutamide 9.3446398 9.0148478 0.32979178 cardanol 9.1282597 8.9116583 0.21660206 carfentanil 9.1938801 9.205265 -0.011385449 carfentrazone-ethyl 9.43577 9.5267086 -0.090938933 carglumic acid 10.02574 10.012023 0.013716604 cariprazine 9.1388798 8.572134 0.56674623 carisbamate 9.6631002 9.5804176 0.082682408 carmegliptin 8.7084198 8.9414244 -0.23300458 carmofur 9.9007301 9.466917 0.43381283 carmustine 10.18679 10.050291 0.13649881 carnidazole 9.2870302 9.6215792 -0.33454928 carnitine 7.8163099 8.4237032 -0.60739309 carnosic acid 9.0611296 9.0348406 0.026289336 L-carnosine 9.2238503 9.3157091 -0.091858946 carotol 9.4933901 9.5342836 -0.040893517 caroxazone 9.4835396 9.4624691 0.021070896 carpropamid 9.4442396 9.436574 0.0076655587 carsalam 10.06845 9.5737324 0.49471772 cartap 9.3717403 9.2842484 0.087491818 carteolol 8.71733 8.7476187 -0.030288521 carumonam 9.0736504 9.6010427 -0.52739257 carvacrol 8.9159098 9.021904 -0.1059939 carveol 9.7275496 9.4794874 0.24806292 carvone 9.9984999 9.4694719 0.52902782 beta-caryophyllene alcohol 10.66233 10.26812 0.39421058 casopitant 9.33916 9.3789911 -0.03983077 castor oil, sulfated or sulf7.02492 7.02492 -1.5657964E-10 catechin 8.9765797 8.7864208 0.19015947 catechol 8.9260902 9.1245947 -0.19850434 cathine 9.5428896 9.3035326 0.23935781 cathinone 9.7495604 9.408617 0.34094346 catramilast 8.5738001 8.7921257 -0.21832608 cavosonstat 8.9172297 8.8182936 0.098936029 2C-B 8.7445803 8.9657888 -0.22120923 CBS-0550 8.72684 9.0283413 -0.30150101 CCT129202 8.5479898 8.5818958 -0.033905834 CDAA 9.6626396 9.7164583 -0.053818576 CDEA 9.5611496 9.8728304 -0.3116805 CDEC 8.6892004 8.4013348 0.28786489 2C-E 8.5726099 8.7284346 -0.15582423 CECA 9.9766197 10.243923 -0.26730287 cedrene 9.3074703 9.4508266 -0.14335631 cedrol 10.78505 10.212233 0.57281733 cedryl acetate 10.47475 10.301869 0.17288101 cedryl methyl ether 10.31018 10.119538 0.19064146 cefaclor 9.4047298 9.1107512 0.29397917 cefamandole 9.6525497 9.2392902 0.41326007 cefatrizine 8.9272099 9.5454369 -0.61822712 cefazolin 9.8662701 9.3904972 0.47577244 cefdinir 9.1943398 9.1576433 0.036696833 cefetamet 9.2017097 9.2062569 -0.0045473077 cefixime 9.2349596 8.9872141 0.24774602 cefotaxime 8.9393902 9.2182999 -0.2789095 cefproxil 9.0988598 9.1357756 -0.036915801 cefteram 8.9481602 9.0492649 -0.10110532 ceftezole 9.7213001 9.1985054 0.52279431 ceftibuten 9.1092596 8.7153387 0.39392126 ceftizoxime 8.9237499 9.217948 -0.2941978 ceftobiprole 9.4226398 9.7434444 -0.32080406 ceftobiprole medocaril 9.6402302 9.5730066 0.067223281 ceftolozane 9.0042496 8.6460752 0.35817516 celecoxib 9.7800398 9.3720427 0.40799713 celery ketone 10.11544 9.9663057 0.14913419 celestin blue 8.54951 8.54951 -4.1090686E-11 cellobiose 10.44159 10.801554 -0.35996348 cenerimod 8.9278002 8.7814331 0.14636669 cenicriviroc 8.5319405 8.227458 0.30448189 cenobamate 9.6554298 9.7667999 -0.11136961 CEPC 9.0601196 9.2069349 -0.14681473 cephacetrile sodium 8.5548401 8.9561367 -0.40129706 cephalexin 9.5147495 9.4043789 0.11037125 cephaloglycin 9.5374603 9.5043125 0.033147931 cephalosporin C 9.5924196 9.4598026 0.13261752 cephalothin 9.6210604 9.4619799 0.1590804 ceramide 9.3927298 9.73001 -0.33728018 Ceramide 2 9.6802797 9.7086077 -0.02832732 ceritinib 8.1648302 8.4276638 -0.26283354 cerivastatin 9.1509399 9.2969894 -0.14604968 cerlapiridine 8.9121504 8.8855581 0.026591942 cerotic acid 11.28031 11.082336 0.19797379 cerulenin 9.46737 9.6067791 -0.13940878 cetamine oxide 9.9426403 9.8022938 0.1403463 cetearyl octanoate 11.01475 10.976742 0.0380085 cetilistat 9.1827698 9.3936691 -0.21089876 cetraxate 9.3289204 9.4291382 -0.10021824 cetrimonium bromide 8.4288301 8.229702 0.1991284 cetyl acetate 11.24789 10.796612 0.45127848 cetyl betaine 12.16592 12.034831 0.1310893 cetyl ricinoleate 9.6139297 10.591013 -0.97708344 cevimeline 8.95123 9.0778809 -0.12665099 cevipabulin 9.5408201 9.0953665 0.44545358 C31G 9.1588802 9.282629 -0.1237489 CGA 41065 9.68365 10.195184 -0.51153392 CGA 41396 9.8144598 9.7738075 0.040651999 CGI 17341 9.9822903 10.286712 -0.30442163 trans-chalcone 9.3784599 9.2882023 0.090257674 chamazulene 7.8826098 8.0857954 -0.20318568 chavicine 8.6620302 8.691968 -0.029937539 chavicol 9.03827 8.9953947 0.042875461 chinomethionat 9.5227003 9.0821161 0.44058427 chinosol 8.7907305 9.3966007 -0.60587043 chlomethoxynil 9.6407804 9.2746572 0.36612269 chloralantipyrine 9.1373701 9.4602251 -0.32285476 chloral betaine 9.1332197 9.0270987 0.10612109 chloral formamide 10.36403 10.205663 0.15836734 chloral hydrate 10.46254 10.984487 -0.52194655 chloralose 10.66198 10.468747 0.19323328 a-chloralose 10.60982 10.468747 0.14107329 chloramben 8.9791899 8.9939108 -0.014720606 chloramine B 9.11765 8.9000349 0.21761556 chloramine T 9.0930099 8.9965668 0.096443675 chloramphenicol 10.03513 10.295856 -0.26072535 chloraniformethane 9.0815601 9.0915346 -0.0099748503 chloranil 9.8379698 10.139096 -0.30112585 chlorantraniliprole 8.9729204 8.8810892 0.091830388 chlorbenside 8.6505699 8.5924816 0.05808831 chlorbenzoxamine 9.04634 9.0769405 -0.030600684 chlorbenzuron 8.7214603 8.9246254 -0.2031657 chlorbetamide 9.5741396 9.495286 0.078854188 chlorbromuron 9.1688499 9.2291441 -0.060294408 chlordane 9.4658899 9.6448574 -0.17896698 chlordantoin 9.8941402 9.9178305 -0.023690229 chlordecone 10.39849 10.582099 -0.18360867 chlordiazepoxide 8.7909203 8.5999546 0.19096535 chlordimeform 8.5976295 8.5268364 0.070793644 chloreturon 8.4262505 8.7760811 -0.34983122 chlorfenac 9.3076897 9.5280437 -0.22035372 chlorfenapyr 9.3965902 9.7506657 -0.35407561 chlorfenethol 9.2997599 9.2086935 0.0910668 chlorfenprop methyl 9.4271898 9.7204666 -0.29327691 chlorfenson 9.1420898 9.5018644 -0.35977483 chlorfensulphide 8.7934399 8.8654613 -0.072021373 chlorfenvinphos 9.1114302 9.3641806 -0.25275084 chlorfluazuron 9.5318699 9.5026951 0.029175352 chlorflurazole 9.0772896 9.4537516 -0.37646133 chlorflurenol 9.0027199 9.0297184 -0.026998797 chlorguanide 8.4165497 8.6216621 -0.20511258 chlorguanide hydrochloride 8.39748 8.7113991 -0.31391916 chlorhexadol 10.66864 10.830256 -0.16161531 chloridazon 8.9102297 8.9764776 -0.066247307 chlorimuron-ethyl 9.3102503 9.4171267 -0.10687647 chlormadinone acetate 9.3753901 9.4406319 -0.065242052 chlormephos 9.4955397 9.7575855 -0.26204544 chlormequat chloride 8.5936203 8.6480284 -0.054408021 chlormethiuron 8.7131901 8.4376373 0.27555221 chlormezanone 9.5963497 9.4309187 0.16543134 chlormidazole 8.6321096 8.8178263 -0.18571612 chlornaphazine 8.9670601 9.0428457 -0.075785533 chlornidine 10.50749 10.277344 0.23014671 chlornitrofen 9.8002796 9.7272778 0.073002018 chloroacetic acid 10.71036 10.828251 -0.1178907 chloroacetone 10.4667 10.387623 0.079076774 3'-chloroacetophenone 9.6110201 9.7158203 -0.10480059 4'-chloroacetophenone 9.6183901 9.7158203 -0.097430587 6-chloro-2-aminotetralin 9.1695004 9.0790777 0.090422526 para-chloroamphetamine 9.2678604 9.1275911 0.1402687 2-chloroaniline 8.6701498 8.8126402 -0.14249018 3-chloroaniline 8.7561197 8.6613054 0.094814241 4-chloroaniline 8.5828695 8.6613054 -0.078435756 chloroazodin 9.5987301 9.7140198 -0.11528966 2-chlorobenzaldehyde 9.7030001 9.833766 -0.13076557 3-chlorobenzaldehyde 9.6356297 9.8042669 -0.16863695 4-chlorobenzaldehyde 9.6625404 9.8042669 -0.14172694 4-chlorobenzamide 9.6271496 9.3776751 0.24947491 chlorobenzene 9.3867702 9.5356016 -0.1488318 chlorobenzilate 9.4020901 9.3957767 0.0063136313 2-chlorobenzoic acid 9.5957804 9.8481436 -0.25236338 3-chlorobenzoic acid 9.6890202 9.8186445 -0.12962475 4-chlorobenzoic acid 9.7421103 9.8186445 -0.076534756 4-chlorobenzotrifluoride 9.9483404 10.242558 -0.29421711 1-chlorobutane 10.40976 10.587707 -0.17794645 2-chlorobutane 10.39076 10.002926 0.38783449 3-chloro-4-cresol 9.0317202 9.1059237 -0.07420326 4-Chlorodehydromethyltestost9.4802303 9.5646124 -0.084382184 chlorodifluoroacetic acid 11.48631 11.365637 0.12067342 1-chloro-2,4-difluorobenzene9.61306 10.174648 -0.56158859 1-chloro-2,5-difluorobenzene9.6999798 10.174648 -0.47466862 1-chloro-3,5-difluorobenzene9.8834801 10.052672 -0.16919264 1-chloro-1,1-difluoroethane 11.27465 10.858319 0.41633055 2-chloro-1,3-dimethylbenzene9.22896 9.5564528 -0.32749277 2-chloro-1,4-dimethylbenzene9.1752396 9.4183855 -0.24314588 chlorodimethylsilane 10.02183 9.8308439 0.19098602 1-chloro-2,4-dinitrobenzene 10.65763 10.832761 -0.17513067 chlorodinitronaphthalene 10.05071 10.211301 -0.16059101 chloroethane 10.40905 10.293468 0.11558148 2-chloroethanol 10.51106 10.56445 -0.053390294 2-chloroethyl ether 10.59545 10.315623 0.27982637 1-chloroheptane 10.41485 10.501343 -0.086492486 1-chlorohexane 10.41357 10.520986 -0.10741518 6-chlorohexanol 10.43264 10.185241 0.24739966 alpha-chlorohydrin 10.26794 10.461848 -0.19390793 1-chloroisoquinoline 9.1239405 9.2505131 -0.12657283 chloromebuform 8.5468597 8.8274126 -0.28055242 4-chloro-2-methoxyphenol 8.8288898 9.0049887 -0.17609903 2-chloro-6-methylaniline 8.6199703 8.7622766 -0.14230634 2-chloro-2-methylbutane 10.36516 9.9044819 0.46067774 5-chloro-1-methylimidazole 9.1273203 9.3941879 -0.26686767 chloromethyl methyl sulfide 9.1536798 9.8154831 -0.66180319 5-chloro,3-methyl,4-nitropyr10.14211 9.9813318 0.16077834 1-chloro-2-methylpropene 9.3302298 9.9885626 -0.65833277 3-chloro-2-methyl-1-propene 10.1772 9.9885626 0.18863721 1-chloro-1-methylsilacyclobu9.7268801 9.8551807 -0.12830064 chloromycorrhizin-a 9.4708996 9.2787714 0.19212845 chloroneb 8.6853399 8.9333906 -0.24805035 1-chloro-2-nitrobenzene 9.9876804 10.138025 -0.15034537 1-chloro-3-nitrobenzene 10.05245 10.263276 -0.21082614 1-chloro-4-nitrobenzene 10.20993 10.263276 -0.053346138 4-chloro-N-methylaniline 8.5234499 8.585885 -0.062435132 chloro-N-methylisothiazalone9.1738195 9.2412596 -0.067439258 1-chloropentane 10.41345 10.549369 -0.1359193 chlorophacinone 9.3959999 9.8457441 -0.44974434 chlorophene 8.9264803 9.0373507 -0.11087082 2-chlorophenol 9.03652 9.2211781 -0.18465841 3-chlorophenol 9.2741499 9.0588512 0.21529849 4-chlorophenol 9.0155602 9.0588512 -0.043291509 chloropicrin 11.29885 10.880387 0.41846254 5-Chloropiperidazine-3-carbo9.6553698 9.5883512 0.067018785 chloropon 10.71863 10.80706 -0.088430345 1-chloropropane 10.41107 10.135415 0.27565476 2-chloropropane 10.4154 10.135415 0.27998477 4-chlororesorcinol 8.9903297 8.8198061 0.17052406 5-chloro-3-tert-butyl-2'-chl9.3206196 9.3869448 -0.066324979 chlorothalonil 9.82026 10.353489 -0.53322923 chlorothiazide 9.9177399 10.040886 -0.12314563 m-chlorotoluene 9.31355 9.4139204 -0.10037068 o-chlorotoluene 9.2856598 9.5519876 -0.26632759 p-chlorotoluene 9.1927099 9.4139204 -0.22121067 3-chloro-p-toluidine 8.6103296 8.7195301 -0.10920022 chlorotoluron 8.6559896 8.8805628 -0.22457239 chlorotrianisene 8.66469 8.6636992 0.00099079427 3-chlorotyrosine 9.0500097 8.9684086 0.081601433 chloroxine 8.7293997 9.0919895 -0.36258975 chloroxuron 8.9611902 8.6663475 0.29484233 chloroxylenol 8.8785896 9.1480379 -0.26944813 chloroxynil 9.5318899 9.6039248 -0.072034523 chlorozotocin 10.02895 9.7439766 0.28497371 chlorphenamine 9.0584698 9.0849829 -0.026512615 chlorphenesin 8.9314299 9.3396158 -0.40818542 chlorphenoxamide 9.1955204 9.1138096 0.081710584 chlorphentermine 9.2390003 9.0725632 0.16643721 chlorprocarb 8.9795103 9.2211094 -0.24159905 chlorproethazine 7.9704599 8.083271 -0.11281104 chlorproguanil 8.7932796 8.5996647 0.19361527 chlorpromazine 7.8336701 7.9172621 -0.083592273 chlorpropamide 9.7512798 9.6757526 0.07552699 chlorpropham 9.00385 9.1960526 -0.19220261 chlorprothixene 8.29354 7.9078479 0.38569203 chlorpyrifos 9.1206198 9.0920582 0.028561898 chlorpyrifos-methyl 9.1386404 9.0474281 0.091211788 chlorquinaldol 8.6810303 8.9476948 -0.26666442 chlorquinox 9.0501699 9.284996 -0.23482598 chlorsulfuron 9.7243795 9.6111021 0.11327756 chlorthalidone 9.4711504 9.6973591 -0.22620952 chlortalidone 9.77637 9.7020712 0.074299023 chlorthenoxazine 9.6374798 9.3925438 0.24493635 chlorthiamid 8.8501196 8.9647312 -0.11461128 chlorthiophos 8.6089096 8.4908409 0.11806916 chlorzoxazone 9.3529396 9.1240158 0.22892374 chlozolinate 9.6375999 9.5488997 0.088700689 cholecalciferol 8.5776501 8.8179703 -0.24032073 5alpha-cholestanone 10.44519 10.122648 0.32254189 cholesteryl chloride 9.6302605 9.7589636 -0.12870391 cholesteryl nonanoate 9.4767303 9.8046188 -0.32788906 choline 15.06131 14.688425 0.3728852 choline alfoscerate 8.9228802 9.1551094 -0.23222938 choline salicylate 8.0593596 7.5065541 0.55280602 chondrine 9.5601301 9.6546936 -0.094563819 chorismic acid 9.8762999 9.8327255 0.043574255 cHPMPC 9.4549904 9.1509008 0.30408913 chromafenozide 9.2196198 8.9571266 0.26249316 chromic acid 93.841469 93.841469 -5.8264504E-13 chromium trihydroxide 84.079399 84.079399 -5.4001248E-13 chromotrope 2B 7.8737998 7.7705383 0.10326185 chrysantheme 9.50068 9.324935 0.17574549 chrysene 8.4927998 8.5069437 -0.014144077 chrysin 9.1935902 8.9836559 0.20993418 chrysoidine free base 8.3161497 8.1109428 0.20520741 chyrsanthenone 9.48347 10.019824 -0.53635377 CIB 5935 9.2280903 9.3187265 -0.090636194 cibenzoline 9.0974197 9.2233667 -0.1259464 ciclesonide 10.14414 9.7246389 0.41950095 cicletanine 9.3973198 9.0468254 0.35049441 ciclonicate 10.38912 9.9036369 0.48548308 cicrotoic acid 10.15445 10.437232 -0.28278187 cidofovir 9.3511896 9.0666533 0.28453696 cilansetron 8.5569601 8.6681547 -0.11119428 cilastatin 9.26408 9.3543205 -0.090240687 ciliatine 9.6113997 9.7544127 -0.14301305 cimetidine 9.0677795 9.140522 -0.072742 cinchonain-Ib 9.0204697 8.9261522 0.094317988 cinchonidine 9.2326298 9.0776014 0.15502869 cinchophen 9.1120195 8.9263067 0.18571298 cindunistat 9.41576 8.8744564 0.54130375 cinerin I 9.6409597 9.5521078 0.088852622 cinerin II 9.7700901 9.9604082 -0.19031829 cinidon-ethyl 8.9467802 8.717288 0.2294924 cinmethylin 9.4358101 9.5461483 -0.11033857 trans-cinnamaldehyde 9.4540997 9.4493713 0.0047287964 cinnamamide 9.3725996 9.2348747 0.13772537 trans-cinnamic acid 9.5274601 9.684226 -0.1567661 cinnamyl alcohol 8.9517498 9.2908545 -0.33910418 cinnamonitrile 9.49125 9.5296307 -0.038380668 cinnamyl acetate 8.9490805 9.3060503 -0.35697046 cinnamyl benzoate 9.1391802 9.218503 -0.079323046 cinnoline 9.6127701 9.2186384 0.3941313 cinosulfuron 9.7022305 9.3885355 0.31369469 cinromide 9.5104303 9.2379656 0.27246475 ciobutide 9.9629402 9.6606741 0.30226585 C.I. Pigment Red 120 8.5027304 8.5465546 -0.043824162 C.I. Pigment Red 3 8.8095198 8.8482304 -0.038710535 ciramadol 8.5679502 8.4345922 0.13335773 cisanilide 8.5945501 8.7416697 -0.14712012 cisapride 8.7183704 8.8644218 -0.14605145 d-N-(cis-5-Hydroxy-3-methylp9.7002497 9.3905487 0.30970088 cismethrin 9.1874504 8.7944498 0.39300022 citalopram 9.19596 9.1451492 0.050810486 citral 9.6233902 9.5073519 0.11603821 citral diethylacetal 9.4660397 8.9923143 0.47372529 citral dimethylacetal 8.4851503 9.0842199 -0.59907007 citric acid 11.40562 11.348752 0.056868043 citriodiol 10.477 10.414169 0.062831126 citronellal 9.4985199 9.5267687 -0.028248644 alpha-citronellal 9.8903198 9.7596245 0.1306954 beta-citronellol 9.3766603 9.4516554 -0.074995466 citronellyl acetate 9.40658 9.7474318 -0.34085196 citronellyl formate 9.4696102 9.716465 -0.24685456 citronellyl oxyacetaldehyde 9.4421301 9.6123762 -0.17024593 citrulline 9.3975201 9.4963865 -0.098866545 Citrus Red 2 8.3579302 8.3590374 -0.001107043 clacyfos 9.1077499 9.005085 0.10266516 cladribine 8.7133398 9.0473061 -0.33396623 clanobutin 8.9988699 9.1319275 -0.13305746 claritone 9.5354795 9.5678167 -0.032336373 clavicipitic acid 8.20436 8.2205858 -0.016225955 clavulanate potassium 8.1200895 8.1242485 -0.0041587567 clazuril 9.57798 9.6508198 -0.072839685 clebopride 8.7712898 8.6491995 0.12209072 clemizole 8.75564 8.7311382 0.024501415 clenbuterol 8.6473904 8.5339012 0.11348914 clentiazem 8.8507204 8.764472 0.086247526 clethodim 9.6410198 9.4483614 0.19265863 clevidipine 8.7101698 8.680378 0.029792352 clevudine 9.1400299 9.093812 0.046217643 climbazole 9.4520998 9.2955999 0.15649976 clinafloxacin 8.86584 8.8204508 0.045389686 clobetasone 10.27092 10.01849 0.2524302 cloconazole 9.1758099 9.2386751 -0.062865049 clodronate sodium 7.1473498 7.1389956 0.0083545074 clodronic acid 9.73421 10.19549 -0.46127945 cloethocarb 9.2551203 9.2529306 0.0021894681 clofarabine 8.9006996 9.0995359 -0.19883588 clofencet 9.3482904 9.3241034 0.024186205 clofibrate 8.9941597 9.4420013 -0.44784153 clofibric acid 9.0521297 9.5206881 -0.46855852 cloflucarban 8.9878902 8.8723907 0.11549921 clofop isobutyl 8.9404297 8.8697023 0.070728064 cloforex 9.4422703 9.297245 0.14502485 clomacran 8.2019997 8.2756338 -0.073634148 clomazone 9.2802896 9.4685678 -0.18827765 clomeprop 8.97054 8.8599253 0.11061487 clometacin 8.5635996 8.6318474 -0.06824778 clomethiazole 9.7889404 9.377162 0.41177803 clometocillin 9.52423 9.4542503 0.069979362 clomipramine 8.8943195 8.6073923 0.28692725 clonazepam 9.6419296 9.6390734 0.0028563128 clonidine 8.5735397 8.5147772 0.058762912 clonitazene 9.4545803 9.3643723 0.090208121 clonixon 8.4568701 8.8029966 -0.34612632 clopamide 9.5553198 9.1479168 0.40740296 clopidogrel 9.0950003 8.7400999 0.35489982 clopidol 9.3082104 9.2562618 0.051947944 cloprop 9.3640203 9.4783545 -0.1143347 cloproxydim 9.1237097 9.4630718 -0.33936146 cloquintocet-mexyl 8.8285799 9.1985598 -0.36998016 cloranolol 8.9123297 8.9897785 -0.077448994 cloransulam-methyl 9.4393902 9.5713987 -0.13200846 clorazepic acid 9.2772503 9.1131325 0.16411711 clorobiocin 8.7573404 8.9568434 -0.19950369 cloroqualone 9.0099001 9.1413574 -0.13145731 clorotepine 8.6145897 8.8971329 -0.28254306 clorsulon 9.4570503 9.7478762 -0.29082614 clortermine 9.3509903 9.085886 0.26510361 clostebol 9.4658298 9.6502199 -0.18439008 clothianidin 10.08091 10.063326 0.017584553 clotiapine 8.6674099 8.7058582 -0.038448159 clotiazepam 9.0462303 8.8476524 0.19857726 clotrimazole 9.2808704 9.3378286 -0.056958593 cloxazolam 8.9324703 9.0086203 -0.076150708 cloxyfonac 9.5047903 9.6428003 -0.13801034 cloxyquin 8.7363005 8.9441462 -0.20784588 Cl-TIBO (R82913) 8.5014496 8.3093548 0.19209477 CNP 9.8025198 9.7272778 0.07524202 cobiprostone 10.65166 10.475232 0.17642826 cocaine 9.3755903 9.4381027 -0.062512882 cocamide 9.7409096 9.8438702 -0.10296034 cocamide DEA 9.5430202 9.6263609 -0.083341211 cocamide MEA 9.5153198 9.8000393 -0.28471911 cocamidopropyl hydroxysultai8.7891998 8.7891998 4.8352433E-12 cocamine oxide 9.9421902 9.7969923 0.14519785 coconut decanone methyl 11.04682 10.832777 0.21404299 codeine methyl bromide 8.6930799 8.810894 -0.11781396 codelure 8.9108601 9.2562943 -0.3454338 coffearin 8.4383602 8.4383602 -1.8298252E-11 colchicine 8.7176704 8.769022 -0.051352449 coleneuramide 9.5317497 9.3956308 0.13611889 coluracetam 8.6051903 8.697011 -0.09182106 complanadine A 8.8731699 8.5584707 0.31469932 conen 9.4697104 9.0180111 0.45169905 gamma-coniceine 9.2300997 9.7271233 -0.49702343 Z-coniferyl alcohol 8.6785498 8.8266125 -0.14806241 coniine 9.7545404 10.21312 -0.45858008 contezolid 9.2747498 8.9502678 0.32448244 coomassie blue 9.9790001 9.8079729 0.17102754 coronaridine 8.35674 8.5867214 -0.22998181 coronatine 9.9867601 9.8785 0.1082596 coroxon 8.9356604 9.2028561 -0.26719591 cortivazol 8.4605103 8.4653063 -0.0047966279 costunolide 9.7174902 9.4294987 0.2879917 cotinine 9.4652996 9.3689022 0.096397437 coumachlor 9.2227201 9.2658844 -0.04316394 coumaphos 9.0756502 8.9780846 0.097565822 coumaran 9.0071602 9.2971268 -0.28996649 p-coumaric acid 9.1251202 9.333374 -0.20825435 trans-o-Coumaric acid 9.2737103 9.430253 -0.15654269 coumarilic acid 9.4616003 9.3229704 0.13862978 coumarin 9.4826803 9.6504068 -0.16772729 coumatetralyl 9.1260595 9.2261391 -0.1000792 coumestrol 8.65448 8.9556093 -0.30112928 CP-25415 9.4780502 9.3671417 0.11090815 CP 47497 8.9973097 9.2772856 -0.27997577 CP-74667 8.6899595 8.5960293 0.093930475 3-CPA 9.6043196 9.580061 0.024259439 4-CPA 9.4541101 9.580061 -0.12595056 CPMC 9.3427696 9.3109016 0.03186851 CPMF 8.9278898 9.1512747 -0.22338498 creatine 9.3138704 9.4994917 -0.18562146 creatinine 9.5282001 9.5867958 -0.058595765 creosol 8.6290998 9.0041275 -0.37502781 creosote 8.7835999 8.6193047 0.1642956 m-cresol 9.07971 9.0836296 -0.003919723 o-cresol 9.0365 9.2173128 -0.18081266 p-cresol 8.9529305 9.0836296 -0.13069972 m-cresyl acetate 9.4847202 9.4858942 -0.0011744503 O-cresyl glycidyl ether 9.1377296 9.283577 -0.14584731 crimidine 9.08986 9.0519466 0.037913553 crizotinib 8.2197304 8.7805357 -0.56080526 crocetin 8.33076 8.2027645 0.12799589 crolibulin 8.5878096 9.1331482 -0.5453378 cromolyn 9.4328699 9.7115574 -0.27868694 cropropamide 9.2935495 9.5491095 -0.25555956 crotamiton 8.9847403 9.1657944 -0.18105435 crotethamide 9.20263 9.5439997 -0.34137005 crotonaldehyde 10.475 10.142479 0.33252093 crotonic acid 10.61443 10.417342 0.19708738 crotononitrile 10.41271 10.021199 0.39151078 crotoxyphos 9.5368996 9.5360003 0.00090000179 crufomate 8.9074001 8.8654308 0.041969199 cubane 10.73647 9.5043364 1.2321339 cucurbitin 9.3982201 9.6446419 -0.24642177 cumene 9.5322905 9.4403257 0.09196423 cumene hydroperoxide 9.6573696 9.764575 -0.10720539 cuminaldehyde 9.8407898 9.696063 0.14472736 cumin nitrile 9.8778095 9.626874 0.25093627 cumyluron 9.3570004 8.9902935 0.36670604 curcumin 8.71978 8.6776876 0.042092413 curlone 9.0943604 9.198864 -0.10450438 CX546 9.1960096 9.2968807 -0.10087063 cyacetacide 10.1856 9.8260241 0.35957575 cyamemazine 8.1465101 8.2210093 -0.074499242 cyanazine 9.3971701 9.6540489 -0.25687847 cyanidin 11.92341 12.033364 -0.10995409 4-cyano-2-aminobutyric acid 10.24745 10.102437 0.14501315 B-Cyanoalanine 10.17984 10.190626 -0.010785863 2-cyanobenzoic acid 10.38212 10.12145 0.26066914 cyanobutane 11.8011 11.725047 0.076052867 4-cyanobutyl benzoate 10.16976 10.257026 -0.087266132 cyanophos 9.6337996 9.4363451 0.19745472 3-cyanopyridine 10.43982 10.309009 0.1308111 4-cyanopyridine 10.63074 10.309009 0.32173109 cyantraniliprole 9.2822905 9.1603403 0.12194941 cyanuric acid 10.69856 10.016935 0.68162477 cyanuric chloride 10.49621 10.189685 0.30652487 cyanuric fluoride 12.08216 11.88961 0.19254988 cyazofamid 9.2030401 9.2993288 -0.096288763 cybutryne 8.9891996 8.7880297 0.20117037 CYC116 8.1054497 8.3871155 -0.28166527 cyclacillin 9.5823202 9.3759956 0.20632476 cyclafuramid 9.1101799 9.159544 -0.04936352 cyclamen aldehyde 9.5245199 9.3104734 0.21404609 cyclamen homoaldehyde 9.4625702 9.4804173 -0.01784751 cyclamic acid 10.39196 10.026984 0.36497584 cyclandelate 9.68505 9.876296 -0.19124606 cyclanilide 8.9730797 9.1915321 -0.21845187 cyclic AMP 8.8641701 8.9933701 -0.1292 cyclic GMP 8.8472004 8.84869 -0.0014904375 cyclizine 9.04811 8.8905754 0.15753475 cycloallin 9.5848303 9.8036528 -0.21882255 cycloartenol 9.4544201 9.711771 -0.25735089 cycloate 9.32131 9.3164291 0.0048810844 cyclobarbital 9.9807396 10.010299 -0.029558374 cyclobendazole 9.0231104 9.139451 -0.11634097 cyclobutane 11.02361 10.494771 0.52883875 cyclobutanol 11.02616 10.46049 0.56567001 cyclobutanone 10.54763 10.451624 0.096006095 cyclobutyrol 11.16072 10.668549 0.49217111 cyclodecane 10.76593 10.658812 0.10711826 cyclofenil 9.2450895 9.3166714 -0.071581401 cycloguanil 8.6936903 8.8210812 -0.12739095 cycloheptane 11.06545 10.557199 0.50825101 1,3-cyclohexadiene 8.9277897 9.1683788 -0.24058877 1,4-cyclohexadiene 9.1919804 9.1604881 0.03149223 1,4-Cyclohexadiene-1-alanine9.1365299 9.3073597 -0.17083004 cyclohexane 11.30726 10.529963 0.77729654 cyclohexanedimethanol 10.82209 10.528221 0.29386929 1,2-cyclohexanediol 10.72716 10.543481 0.18367925 1,4-cyclohexanediol 10.99913 10.474198 0.52493155 cyclohexanol 10.73852 10.502081 0.23643905 cyclohexanone 10.47796 10.486033 -0.0080735171 cyclohexene 9.6000299 9.8397293 -0.23969896 3-cyclohexene-1-carboxaldehy9.7823696 9.8670731 -0.084703118 cycloheximide 10.49195 10.19136 0.30059087 cyclohexylamine 9.3786697 9.6767635 -0.29809341 cyclohexylcarbinol 10.87126 10.526996 0.34426454 cyclohexyl chloride 10.40078 10.351711 0.049068615 2-cyclohexyl-4,6-dinitrophen10.52987 10.489656 0.040213577 cyclohex-1,2-ylenediamine 9.1974602 9.1975689 -0.00010873351 1-cyclohexylethanol 10.88476 10.431849 0.45291069 2-cyclohexylethanol 10.8198 10.249463 0.57033658 cyclohexyl ethyl acetate 10.97566 10.480635 0.49502501 2-cyclohexyl-1,6-heptadien-310.23171 10.08009 0.15162048 cyclohexyl nitrite 10.60728 10.417438 0.18984257 (2-(cyclohexyloxy)ethyl)benz9.5668097 9.7135544 -0.14674419 cycloleucine 9.8725901 10.041859 -0.16926846 cyclonite 11.43856 11.43856 -5.2811089E-12 cyclononane 10.86471 10.622945 0.24176517 cyclooctane 11.06348 10.588653 0.47482693 cyclooct-4-en-1-yl methyl ca9.9116096 10.276102 -0.36449242 cyclopamine 9.3130703 9.0669432 0.24612665 cyclopentadiene 9.2272501 9.0682201 0.15902996 cyclopentamine 9.21521 9.427989 -0.21277913 cyclopentane 11.10955 10.508518 0.60103148 cyclopentanol 10.96627 10.477437 0.48883337 cyclopentanone 10.59999 10.46498 0.13501011 cyclopentobarbital 10.00354 9.9120998 0.091440372 cyclopentyl methyl ether 10.57874 10.497581 0.081158191 cyclophosamide 9.6593304 9.4689322 0.19039793 cyclopropane 11.77148 10.491285 1.2801944 cyclopropanecarboxylic acid,9.77775 10.08455 -0.30679992 cyclopropavir 8.5855999 8.5855999 1.0199841E-11 cyclopropyl methyl ether 10.5281 10.471678 0.056422379 N-cyclopropyl-5-methyl-2-iso9.4133701 9.7258348 -0.31246457 d-cycloserine 9.9500904 9.9646749 -0.014585353 L-cycloserine 9.9776602 9.9646749 0.012984646 cyclotetrasiloxane 8.5596704 8.7049599 -0.14529027 cyclovalone 8.6682701 8.5434656 0.12480419 cycluron 9.39188 9.2716675 0.1202129 cyenopyrafen 9.1403904 8.743103 0.3972868 cyflufenamid 9.2755003 9.4795971 -0.20409715 cyfluthrin 9.6866598 9.4524088 0.23425081 cyhalofop 9.2028704 9.2688417 -0.065971538 cyhalofop-butyl 9.1978998 9.1763477 0.021552397 m-cymene 9.3508797 9.3261051 0.024774997 o-cymene 9.3257504 9.3587294 -0.03297957 p-cymene 9.2487001 9.3261051 -0.077405006 cymoxanil 9.9477901 9.9102144 0.037575711 cynarin 9.0063601 9.1929474 -0.18658748 cyometrinil 9.9242802 9.9951382 -0.070858046 cypendazole 8.8488398 8.9590178 -0.11017779 cypermethrin 9.6522198 9.4060335 0.24618645 alpha-cyperone 9.6616297 9.4537611 0.20786926 cyperquat 12.81 12.81 5.0563287E-10 cypionic acid 11.26259 10.460553 0.802037 cyprazole 9.4660301 9.3790731 0.086956784 cyproconazole 9.6078396 9.7289257 -0.12108535 cyprodime 9.1207104 9.2600298 -0.13932021 cyprodinil 8.6674099 8.5943146 0.073095188 cyprofuram 9.72013 9.8983459 -0.17821613 cyproheptadine 8.1320801 8.4150915 -0.28301162 cypromid 8.8365898 9.0192242 -0.18263398 cyproterone 9.3513098 9.4911146 -0.13980451 cyproterone acetate 9.4819603 9.5601673 -0.078207314 cyromazine 9.0031605 9.0704641 -0.06730438 cystamine 9.4191704 9.1286898 0.29048055 L-Cystathionine 9.1600103 9.397727 -0.23771685 cysteamine 9.2335501 9.1848087 0.048741572 Cysteic acid 10.31438 10.091578 0.2228028 L-cysteiic acid 10.29145 10.091578 0.19987281 L-Cysteine 9.5768204 9.3703928 0.20642714 L-Cysteinesulfinic acid 10.01301 9.851182 0.16182758 L-Cystine disulfoxide 9.3723202 9.7519312 -0.37961122 L-Cystine 9.8115902 9.63099 0.18059982 cytarabine 9.0942202 9.1060476 -0.01182793 cythioate 9.7228298 9.7487268 -0.025896959 cytidine 9.4600401 9.1060476 0.35399207 cytisine 8.7462301 8.3824139 0.36381653 cytosine 9.2798996 9.0432339 0.23666567 2,4-D 9.4097795 9.4921284 -0.082348838 dabigatran 8.7655296 8.7546473 0.010882368 dabrafenib 9.0824499 9.2168884 -0.13443804 dabuzalgron 9.1228304 8.7190742 0.40375528 dacarbazine 9.2114401 8.9145851 0.29685533 dacomitinib 8.3256903 8.4867477 -0.16105796 dagrocorat 9.0157404 8.8553839 0.16035575 daidzein 8.8860502 9.0127745 -0.12672417 daidzin 9.1432304 9.1682596 -0.025030093 daigremontianin 9.5580196 10.320115 -0.76209527 dalapon 10.80612 10.727458 0.078662358 dalbergichromene 8.3243504 8.355195 -0.030844588 dalfampridine 9.1030798 9.0708199 0.032260396 DALT 8.4129496 8.3630781 0.049871996 damascenine 9.0971298 9.2607355 -0.16360573 beta-damascenone 9.0736599 9.1380386 -0.06437888 damascol 9.63099 9.4813919 0.1495983 beta-damascone 9.5802698 9.508152 0.072117738 delta-damascone 9.7021999 9.7622433 -0.060043745 daminozide 9.2595701 9.6216412 -0.36207095 damnacanthal 9.8476295 9.3852921 0.46233797 danegaptide 9.6684198 9.3911581 0.27726209 danirixin 8.8937502 8.6326408 0.26110947 danofloxacin 8.7807398 8.6478539 0.13288647 dantron 9.4467201 9.0797958 0.36692455 danusertib 8.6824999 8.9432154 -0.26071554 dapagliflozin 8.9890604 9.127553 -0.13849296 darapladib 8.9959497 9.0083542 -0.012404124 darendoside B 8.7900496 9.3902493 -0.60019922 darglitazone 9.0641098 9.553628 -0.48951825 darifenacin 8.8464003 8.8707113 -0.024311207 darinaparsin 9.1664896 9.2692385 -0.10274886 darolutamide 9.0020304 9.0759468 -0.073916666 darunavir 9.3411598 9.2500105 0.091149829 darusentan 9.5933704 9.3342829 0.25908667 dasatinib 9.1051598 8.3527164 0.75244355 dasolampanel 9.5453796 9.4235258 0.12185405 dayoutong 8.9480896 9.0591774 -0.1110871 dazomet 8.72964 8.8272247 -0.097584434 2,4-DB 9.07059 9.4921722 -0.42158267 2,4-DB-butyl 9.0152397 9.3220453 -0.30680558 DBNPA 10.42609 9.9541893 0.4719007 2,4-D-butyl 9.0708599 9.309227 -0.23836663 D & C Brown no. 1 8.6696701 8.1422415 0.52742845 D & C Orange no. 5 9.2598104 9.1366825 0.12312718 DCPA 9.4093599 9.6327257 -0.22336611 DCPM 9.2931099 8.8863401 0.40677023 D & C Red No. 6 7.9686499 7.8182917 0.15035826 D & C Yellow no. 11 9.2357302 9.5798388 -0.34410861 DDA 9.4175997 9.2853851 0.13221498 DDCP 9.3593302 9.2662592 0.093071252 DDE 9.0284901 9.2651768 -0.23668715 DDT 9.4210997 9.3546076 0.066492006 DE-795 9.0311203 9.1452236 -0.11410392 deanol 9.1289997 9.7136316 -0.58463174 debacarb 8.8013496 8.9225645 -0.12121473 debrisoquin 9.1632795 8.9663401 0.19693984 decachlorobiphenyl 9.2790403 8.7031775 0.57586277 1,2,3,4,5,6,7,8,9,10-decahyd9.3833504 9.8911839 -0.50783432 decalin 11.00396 10.389647 0.6143139 decanal 10.63124 10.576617 0.054622948 n-decane 11.27343 10.81278 0.46064979 1-decanol 10.89379 10.512497 0.38129282 2-decanone 10.68004 10.508184 0.17185581 3-decanone 10.57133 10.593361 -0.022031369 4-decanone 10.58076 10.861364 -0.28060421 decarbofuran 9.0177097 9.0982428 -0.080532648 decatone 10.48535 10.207498 0.27785227 9-decenal 10.11043 10.056161 0.054268844 4-trans-decenal 9.9326601 10.220188 -0.28752834 1-decene 10.18625 10.281331 -0.095081024 9-decen-1-ol 10.04298 9.9810476 0.06193202 9-decen-2-one 10.06312 9.9877281 0.075391702 deceth-4 10.58217 10.623695 -0.041525129 decitabine 9.6146097 9.6427279 -0.028117925 decylamine 9.4012899 9.6906757 -0.28938568 decylamine oxide 9.9409904 9.8074789 0.13351138 decyl betaine 9.1475897 9.1668634 -0.019273654 N-decyl diethanolamine 9.2829599 9.3693466 -0.086386532 decyl(dimethyl)phosphine oxi9.7580099 10.094881 -0.33687153 decyl glucoside 10.75463 10.702361 0.052269369 N-decyl-1,3-propanediamine 9.1953697 9.0736799 0.12169017 DEET 9.1477499 9.2503471 -0.10259719 DEF 9.5095301 9.3803663 0.12916374 defactinib 9.0026197 8.8239651 0.17865537 deferiprone 8.3555803 8.6889133 -0.33333319 deferitazole 9.2405005 9.2461538 -0.0056534293 deferitrin 9.0233297 9.0444622 -0.021132641 defosfamide 9.9570398 9.4270449 0.52999562 dehydroacetic acid 10.36984 10.72509 -0.35525021 L-dehydroascorbic acid 10.59546 11.296166 -0.70070654 (3beta)-7-dehydrocholesterol8.6352396 9.3358326 -0.70059288 dehydrocholic acid 10.67473 10.264333 0.41039759 delafloxacin 9.13727 9.1615314 -0.024261303 delamanid 8.6180801 9.1145506 -0.4964703 delanzomib 9.1259804 9.0421276 0.083852828 delphinidin 11.96877 11.913793 0.054977044 deltamethrin 9.7833099 10.02381 -0.24050049 delucemine 9.3214798 9.2010384 0.12044175 demanyl phosphate 9.1638403 9.9082165 -0.74437618 demephion 9.1489801 8.9397259 0.2092538 demeton 9.2144003 9.1361036 0.078296781 demeton-O-methyl 9.0335398 9.3018074 -0.26826754 demeton-S-methyl 9.0229597 9.0705252 -0.047565099 demeton-S-methylsulphon 9.7988796 9.902607 -0.1037268 demiditraz 9.1979303 8.8164091 0.38152081 denagliptin 9.6192398 9.4003181 0.21892186 denatonium benzoate 11.68585 11.805085 -0.1192353 deoxycorticosterone 10.21614 9.9800529 0.23608735 2-deoxy-D-glucose 10.96972 10.743074 0.22664583 deoxyepinephrine 8.7650003 8.7402315 0.024768863 derazantinib 8.48419 8.2717562 0.2124337 desaminocanavanine 9.8576498 9.3848753 0.47277504 desflurane 13.3412 12.958339 0.38286123 desmedipham 9.0795498 8.6223278 0.45722231 desmethylclozapine 9.2234201 8.5457087 0.67771131 desmethylprodine 9.1265602 9.3215914 -0.19503185 desmetryn 9.0123997 8.6106548 0.40174544 desmosine 11.87871 11.780552 0.098158456 desoxymethyltestosterone 9.7137604 9.8596382 -0.14587797 desvenlafaxine 8.8537502 8.9847231 -0.13097338 dettol 8.9070597 9.1480379 -0.24097814 deudextromethorphan 8.8254805 8.9678793 -0.14239946 dexelvucitabine 9.2924204 9.3349495 -0.0425299 dexlansoprazole 9.1383305 9.1814051 -0.043074735 dexmecamylamine 9.0794201 9.0079098 0.071510054 dexmethylphenidate 9.2593603 9.3665667 -0.10720703 dexpanthenol 9.5308199 10.02888 -0.49806026 dexpramipexole 8.6993599 8.4009171 0.29844263 dexrazoxane 10.1019 10.090851 0.011049159 dextrallorphan 8.8842201 8.9027414 -0.018520996 dextromethorphan 8.8207502 8.9678516 -0.14710127 dextrorphan 8.8709002 8.8071899 0.063710354 dezocine 8.9537897 8.900898 0.052891955 diacetone alcohol 10.47835 10.656439 -0.17808917 diacetoxyscirpenol 9.8336496 9.876544 -0.04289367 1,2-diacetylanthraquinone 9.6994896 9.4413805 0.25810948 dialifos (dialifor) 8.8782997 9.3580971 -0.47979662 diallate 9.2292604 9.3292933 -0.10003351 N,N-diallyl-5-methoxytryptam8.2512102 8.2223558 0.028854169 diamate 9.1290598 9.1408224 -0.011762741 diamidfos 8.9328899 8.8446064 0.088284031 a,e-Diamino-a-hydroxycaproic9.4165497 9.6202984 -0.20374866 3,5-diaminobenozic acid 8.6971598 8.1579771 0.53918254 a,e-Diamino-B-hydroxypimelic9.90376 9.9727287 -0.068968341 a-g-Diaminobutyric acid 9.5250998 9.4671144 0.057985451 a,e-Diaminocaproic acid 9.5108404 9.339324 0.17151628 B,e-Diaminocaproic acid 9.4646397 9.3051996 0.15944058 a,e-Diamino-d-hydroxycaproic9.6295605 9.582777 0.046782941 3,5-Diaminohexanoic acid 9.7127399 9.3644753 0.34826499 2,6-Diamino-7-hydroxyazelaic9.63134 9.6364365 -0.0050963471 2,4-diamino-6-phenyl-1,3,5-t9.2588301 9.2333164 0.025513465 a,e-Diaminopimelic acid 9.8301001 9.8023005 0.027799308 a,B-diaminopropionic acid 9.6581802 9.6838198 -0.025639864 3,4-diaminopyridine 8.6750698 8.9640522 -0.28898224 2,3-Diaminosuccinic acid 10.00259 10.078062 -0.07547199 2,5-diaminotoluene 8.0271902 7.8819561 0.1452339 a,d-Diaminovaleric acid 9.5671301 9.3987598 0.16837038 diamond 9.5892401 9.8490276 -0.2597878 diamthazole dihydrochloride 8.57798 8.6140318 -0.03605216 diamyl sodium sulfosuccinate9.4124804 9.2817411 0.13073859 dianhydrogalactitol 11.12992 10.824609 0.30531111 dianthus ethone 8.6870499 9.1506281 -0.46357816 diaphene 9.1528702 9.0973425 0.055527117 diaveridine 8.7464895 8.6397657 0.1067238 diazepam 9.09163 8.9380035 0.15362602 1,2-diazepine 8.4339304 8.7737732 -0.33984315 1,3-diazepine 8.3712997 8.6845627 -0.31326309 1,4-diazepine 8.3271904 8.7091284 -0.3819384 diazinon 9.4624901 9.2318792 0.23061043 diaziquone 8.7299995 8.6765146 0.053485192 diazirine 11.11524 10.657547 0.4576931 O-Diazoacetylserine 9.8361797 9.8708277 -0.034648132 e-Diazo-d-ketonorleucine 9.7167397 9.6273775 0.089362852 dibenz[a,h]anthracene 8.3812904 8.2200594 0.16123039 dibenzepin 8.4161701 8.4146175 0.0015526194 dibenzylpiperazine 9.0629101 8.9323044 0.13060565 diborane 11.37922 11.37922 -6.3696781E-10 1,3-dibromobenzene 9.9445 9.9001122 0.044387631 1,2-dibromobenzene 9.8625898 9.9001122 -0.037522372 1,4-dibromobenzene 9.8675804 9.9001122 -0.032532372 4,4'-dibromobiphenyl 9.1884203 9.2859802 -0.097559758 dibromochloropropane (DBCP) 10.16898 10.35325 -0.18426985 1,2-dibromoethane 11.21921 11.2192 0.000010000002 dibromopropamidine 9.1725101 9.5076542 -0.33514404 3,5-Dibromotyrosine 9.4239798 9.1812582 0.24272206 dibutoxy tetraglycol 10.56928 10.828423 -0.2591421 N,N-dibutylacetamide 9.5431995 9.5896664 -0.046466809 dibutylamine 9.1688499 9.9789705 -0.81012064 dibutyl ether 10.48966 10.845299 -0.35563874 dibutyl lauroyl glutamide 9.1998701 8.9592285 0.24064101 dibutyl phthalate 10.31971 10.436213 -0.11650326 dicamba 9.4547501 9.5264215 -0.071671918 dicapryl adipate 11.21613 10.97058 0.24555036 dicapryl ether 10.49763 10.747451 -0.24982043 dicapthon 9.7037497 9.7125559 -0.0088063087 N-(1,2-dicarboxyethyl)-aspar5.1416898 6.8004055 -1.6587154 S-(1,2-Dicarboxyethyl)-cyste9.5894604 9.7635822 -0.17412218 dicetyldimonium chloride 4.0605502 4.7571926 -0.69664258 dichlobenil 9.7281103 9.8607397 -0.13263017 dichlofenthion 9.0775604 8.8733568 0.2042032 dichlofluanid 9.6688995 9.4561453 0.21275494 dichlone 9.6916199 9.713707 -0.022086607 dichloralurea 10.31304 10.712869 -0.39982828 dichloramine T 9.7128801 10.041963 -0.32908231 dichlorflurenol-methyl 8.9189396 9.0584822 -0.13954203 dichlormate 9.2627201 9.3241186 -0.061399072 dichlormid 9.6278296 9.8672285 -0.23939818 4,5-dichloro-3H-1,2-dithiol-9.2416496 9.1197243 0.12192613 dichloroacetic acid 10.82265 10.9069 -0.08425042 2,3-dichloroaniline 8.7856798 8.7758884 0.0097918538 2,4-dichloroaniline 8.6448803 8.7466593 -0.10177949 2,6-dichloroaniline 8.7358303 8.897994 -0.16216391 2,4-dichlorobenzamide 9.6985703 9.3398027 0.35876754 2,6-dichlorobenzamide 9.5426903 9.3693008 0.17338891 1,2-dichlorobenzene 9.30124 9.4486074 -0.14736734 1,3-dichlorobenzene 9.4225197 9.4193783 0.0031413098 1,4-dichlorobenzene 9.2294102 9.4193783 -0.18996869 2,4-dichlorobenzoic acid 9.6723604 9.7120256 -0.039666101 dichlorobenzyl alcohol 9.1232405 9.4766035 -0.35336316 2,7-dichlorodibenzo-P-dioxin8.7607298 9.0959167 -0.3351866 1,3-Dichloro-5,5-dimethylhyd10.273 9.9968786 0.27612165 1,2-dichloroethane 10.61909 10.406392 0.21269791 1,2-dichloroethene (trans) 9.5159702 9.5159702 3.902656E-12 1,3-dichloro-5-ethyl-5-methy10.25937 9.8982677 0.36110255 dichlorophen 8.8899298 8.9917326 -0.10180218 dichlorophenarsine hydrochlo8.7469101 8.7428637 0.0040464886 2,3-dichlorophenol 9.3255796 9.1186504 0.20692948 2,4-dichlorophenol 9.0914602 9.0894222 0.0020381308 2,6-dichlorophenol 9.1988697 9.2850857 -0.086215861 2-(2,5-dichlorophenoxy)propi9.3411598 9.388628 -0.04746763 3,6-dichloropicolinic acid 9.6941099 9.8474932 -0.15338279 1,2-dichloropropane 10.45459 10.246544 0.20804656 1,3-dichloropropane 10.54965 10.246544 0.30310655 2,2-dichloropropane 10.4938 10.246544 0.24725655 1,3-dichloropropene 9.7734203 10.241268 -0.46784806 1,2-dichlorotetraflouroethan11.68339 11.501196 0.18219437 2,3-dichlorotoluene 9.2701998 9.4631977 -0.19299778 2,4-dichlorotoluene 9.2434902 9.4501438 -0.20665415 2,6-dichlorotoluene 9.3722601 9.5882111 -0.21595106 dichlorphenamide 9.9733496 10.239451 -0.2661016 dichlorprop 9.1623697 9.388628 -0.22625764 dichlorprop-P 9.4622498 9.388628 0.073622368 dichlorvos 8.8787603 9.3583317 -0.479572 dichlozoline 9.60923 9.3467379 0.26249245 dichromium trioxide 124.7275 124.7275 -2.0605739E-12 dichrostachinic acid 9.2684097 9.6899195 -0.42150986 diclazuril 9.5061598 9.4845715 0.02158894 diclocymet 9.4860001 9.4471674 0.038832709 diclofenac 8.76408 8.4217205 0.34235948 diclofenac sodium 8.0485697 7.9497938 0.098776162 diclofop methyl 8.9806805 8.9715881 0.0090920907 diclomezine 9.0567398 9.2929401 -0.23620059 dicloran 9.4153299 9.6355791 -0.22024894 diclosulam 9.3625898 9.6820984 -0.31950885 dicloxacillin 9.3045397 9.0541306 0.25040987 dicofol 9.5078897 9.5715857 -0.063695453 dicrotophos 9.20823 9.5144644 -0.30623481 dicumarol 9.2032604 9.4053183 -0.20205858 dicyandiamide 9.9446201 9.5309076 0.41371223 dicyclanil 8.9029503 8.9867582 -0.083808012 dicyclonon 9.6798697 9.9101706 -0.2303001 didanosine 9.0464201 9.5917645 -0.54534435 didecyl dimethyl ammonium ch8.47721 8.5150614 -0.03785105 dideoxyadenosine 8.7639399 8.7797613 -0.015821444 dideoxycytidine 9.2375002 9.1933937 0.044105899 dideoxyinosine 13.42892 9.5917645 3.8371556 di-D-fructose dianhydride 10.43027 11.017224 -0.58695394 didodecyldimethylammonium ch4.2098899 3.7322748 0.47761518 dieldrin 9.3906603 9.4578133 -0.067153282 dienestrol 8.5866699 8.7860498 -0.1993802 dienochlor 8.9226799 8.6588802 0.26379991 diethadione 10.61903 10.547457 0.071573734 diethanolamine 9.3598299 9.8412819 -0.4814519 diethatyl ethyl 9.6285696 9.4249763 0.20359385 diethazine 7.8495798 8.0418262 -0.19224577 diethofencarb 8.3551302 8.9379225 -0.58279234 1,1-diethoxyheptane 10.58364 10.921646 -0.33800659 1,1-diethoxy-3-methylbutane 10.58794 10.618793 -0.030852214 N,N-diethylacetamide 9.5729399 9.6559954 -0.08305496 diethylaluminium cyanide 9.7710896 9.1149826 0.65610731 diethylamine 9.1422596 9.5859814 -0.44372162 diethylaminoethanol 9.0985603 9.5503139 -0.45175412 N,N-diethylaniline 8.3481302 9.0296268 -0.68149662 1,2-diethylbenzene 9.2428303 9.1709185 0.071911544 1,3-diethylbenzene 9.24928 9.1198301 0.12944971 p-diethylbenzene 9.1184702 9.1045847 0.013885767 diethylbromoacetamide 9.8787603 9.6942787 0.18448149 diethyl carbonate 11.44807 11.134851 0.31321812 diethyldimethyl-2-cyclohexen9.5790701 9.904521 -0.32545066 sodium diethyldithiocarbamat7.9288998 7.9288998 -1.787015E-11 diethylene glycol 10.607 10.478157 0.12884286 diethylene glycol butyl ethe10.5592 10.661633 -0.10243289 diethylene glycol ethyl ethe10.55675 10.623343 -0.066592567 diethylene glycol hexyl ethe10.56113 10.604031 -0.042900838 diethylene glycol methyl eth10.59392 10.567594 0.026326094 diethylene glycol propyl eth10.55617 10.704808 -0.14863859 diethylenetriamine 9.2684698 9.3183079 -0.049837563 diethylenetriaminepentaaceti9.6222 9.4231377 0.19906247 diethyl ether 10.47824 10.802616 -0.32437658 diethyl fumarate 11.31407 10.650557 0.66351336 di-2-ethylhexyl sebacate 11.00336 10.982676 0.020684708 1,2-diethylhydrazine 8.7886696 9.2944679 -0.5057978 diethyl malonate 11.26302 10.975363 0.28765741 diethyl phenylmalonate 9.7430801 9.9509706 -0.20789063 diethyl phthalate 10.31977 10.138404 0.18136655 diethylpropion 9.2800398 9.203414 0.076626234 diethyl pyrocarbonate 11.77426 11.454102 0.32015812 diethylstilbestrol 8.9842196 8.7224245 0.26179516 diethyl sulfate 11.38965 10.963043 0.42660648 diethyl sulfide 8.8559704 9.3997564 -0.54378599 diethyltoluamide 9.3042498 9.2503471 0.053902809 diethyltryptamine 8.3744602 8.2994165 0.07504347 difamilast 9.1189299 9.2566185 -0.13768855 difenamizole 8.6125898 8.7559643 -0.14337431 difenopenten 9.1741199 9.1325865 0.041533768 difenpiramide 8.8438702 8.7218075 0.12206236 diflorasone 10.40812 10.533021 -0.1249009 diflovidazin 9.2943802 9.2738457 0.020533862 difloxacin 8.9126997 8.9616623 -0.048962086 diflubenzuron 9.0632696 9.112978 -0.049707517 diflufenican 9.3317299 9.2704849 0.061244693 diflufenzopyr 9.2353001 9.2821007 -0.046800345 diflunisal 9.3329697 9.4037762 -0.070806548 1,3-difluorobenzene 10.02368 10.166147 -0.14246744 2,6-difluorobenzoic acid 10.30473 10.325093 -0.020363551 2,6-difluorobenzyl alcohol 9.8710699 10.069129 -0.19805928 1,1-difluoroethane 12.81749 12.81749 2.1351809E-12 1,2-difluoroethane 12.3035 12.3035 2.1778135E-12 2,6-difluoropyridine 10.36235 10.590226 -0.22787616 2,6-difluorotoluene 9.9395504 10.055505 -0.11595522 difunon 8.6864405 9.0818014 -0.39536151 diglycolamine 9.5231504 9.7538805 -0.23073053 diglyme 10.58096 10.667696 -0.086736016 dihydralazine 8.7827396 9.2596169 -0.47687685 2,3-Dihydro-3,3-dimethyl-1-H8.1614304 8.3892126 -0.22778262 dihydroallin 9.6621199 9.639905 0.022215452 dihydro ambrate 10.21049 10.150651 0.059839062 dihydro-beta-ionone 9.3467903 9.5924673 -0.2456769 4,7-Dihydroindan 8.8756304 9.080801 -0.20517123 dihydro-isojasmone 10.10759 10.151583 -0.043992601 dihydrolipoic acid 9.2234097 9.3478632 -0.12445278 dihydrolterpinyl acetate 10.87123 10.533996 0.33723438 e-(1,4-Dihydro-6-methyl-3-hy8.5040102 8.9717379 -0.46772763 dihydromorphine 8.5358801 8.8520155 -0.31613517 dihydromyrcenol 10.17337 10.15873 0.014640497 6,7-Dihydro-1,1,2,3,3-pentam9.7971296 9.5221004 0.2750299 dihydro-5-pentyl-2(3H)-furan11.10113 10.844272 0.25685826 5alpha-Dihydroprogesterone 10.45031 10.091323 0.35898757 dihydropyrone 10.20786 10.513233 -0.30537322 Dihydrorhizobitoxine 9.7885799 9.6511927 0.13738701 dihydrotestosterone 10.46098 10.126602 0.33437774 dihydroxyacetone 10.50126 10.859363 -0.3581025 dihydroxyacetone phosphate -6.3443999 -6.5432773 0.19887708 dihydroxyaluminum acetylsali9.8204403 10.05308 -0.23263933 2,4-dihydroxybenzophenone 9.2282801 9.1467066 0.081573196 1,25-dihydroxycholecalcifero8.5975904 8.7382622 -0.14067203 B,g-Dihydroxyglutamic acid 8.5380096 8.612916 -0.074906394 5,6-dihydroxyindole 8.3280497 8.0255966 0.30245322 5,6-Dihydroxy-2-indolylcarbo8.64361 8.5758123 0.067797691 B,g-Dihydroxyisoleucine 9.7937403 9.9006901 -0.10695045 gamma,delta-Dihydroxyleucine9.9037905 9.9006901 0.0030995512 2,4-Dihydroxy-6-methylphenyl9.3106804 8.9544477 0.35623202 2,3-Dihydroxy-N-benzoylserin9.2122698 9.4968939 -0.28462413 d,e-Dihydroxynorleucine 9.8698502 9.7394762 0.13037339 3,4-dihydroxyphenylacetaldeh9.0581598 9.1970911 -0.13893136 3,4-Dihydroxyphenylalanine (9.2803097 9.0865374 0.19377264 3,5-Dihydroxyphenylglycine 9.1229496 9.3269548 -0.20400518 cis-3,4-trans-3,4-Dihydroxyp9.6524496 9.8558807 -0.20343074 b-(2,6-Dihydroxypyrimidin-1-9.7790699 9.7356825 0.043387301 4.6-Dihydroxyquinoline-2-car9.0131598 8.9123564 0.10080352 Dihydrozanthurenic acid 9.2968702 8.9088221 0.38804749 diisobutyl adipate 11.2033 10.986154 0.21714674 diisobutylaluminum hydride 9.8179102 9.8179102 2.6094682E-12 diisobutyl ketone 10.49271 10.901558 -0.4088482 diisobutyl sodium sulfosucci9.6546803 9.111536 0.54314375 diisooctyl adipate 11.21268 11.286678 -0.073997885 diisopropanolamine 9.2696896 9.8343334 -0.56464392 diisopropyl adipate 11.11026 10.67805 0.43220958 diisopropylamine 9.1525497 9.3968725 -0.24432218 diisopropylamine dichloroace9.1022596 9.9307394 -0.82847947 diisopropyl ether 10.56907 10.291799 0.27727181 diisopropyl paraoxon 9.8866301 10.142741 -0.25611165 diisopropyl sebecate 11.09075 10.71295 0.37780008 diisopropyltryptamine 8.2538996 8.3119049 -0.058004726 dikegulac sodium 8.9201202 8.8454294 0.074690185 DILAN 9.5230799 9.1254168 0.39766297 dilauryl thiodipropionate 9.2275496 10.081657 -0.85410774 dilinoleic acid 9.43402 9.521451 -0.087431259 dilmapimod 9.0139198 8.4465342 0.56738573 diloxanide 9.0195999 9.2053995 -0.18579927 dimatif 9.1349401 8.8307657 0.30417433 DIMBOA 8.5995302 9.0202541 -0.42072427 dimebolin 8.2053003 8.1710415 0.034258135 dimefluazole 9.9792004 9.800086 0.17911366 dimefluthrin 9.4532204 9.4696836 -0.016463993 dimefox 9.3512096 9.3407106 0.010499487 dimfuron 8.4667902 8.7843933 -0.31760335 dimehypo 8.6967096 9.2318716 -0.53516138 dimemorfan 8.9426899 9.039134 -0.096443854 dimenoxadol 9.21772 9.1416235 0.076096915 dimepiperate 9.4043903 8.9940062 0.41038355 dimethachlon 9.28018 9.1812305 0.098949328 dimethachlor 9.5699596 9.4523048 0.11765553 dimethadione 10.81481 10.58864 0.22616974 dimethametryn 8.9761696 9.5861282 -0.60995853 dimethazan 8.9816799 8.9388199 0.042859662 dimethenamid 9.2449102 8.7990379 0.44587162 dimethicone 8.0467796 8.1996307 -0.15285078 dimethindene 8.9154797 8.8237076 0.091772169 dimethirimol 8.6936598 8.7420368 -0.04837656 dimethoate 9.5071802 9.3651752 0.14200489 dimethomorph 8.81217 8.6828279 0.12934205 dimethoxyamphetamine 8.7059002 8.7863359 -0.080435865 2,4-dimethoxybenzamide 9.1628799 8.9936447 0.16923511 1,2-dimethoxybenzene 8.7478304 9.2395945 -0.49176487 2,5-dimethoxy-4-bromoampheta9.4483995 8.9664259 0.48197433 1,2-dimethoxyethane 10.58878 10.612346 -0.023565844 2,5-dimethoxy-4-methylamphet9.2046604 8.7346582 0.47000134 1,1-dimethoxy-3-methylbutane10.72009 10.876874 -0.15678434 2,5-dimethoxy-4-nitroampheta9.4212599 9.2544813 0.16677849 2,5-Dimethoxy-4-nitropheneth9.48137 9.2573776 0.22399198 2,5-Dimethoxy-p-cymene 8.4895096 9.0547724 -0.56526196 6,6-Dimethoxy-2,5,5-trimethy9.3695698 9.6410646 -0.27149448 N,N-dimethylacetamide 9.2046299 9.8259745 -0.62134486 dimethyl adipate 11.2309 10.717315 0.51358563 dimethylallyl pyrophosphate 9.4758501 9.6927481 -0.21689849 dimethylamine 9.2205601 9.8387032 -0.61814278 p-dimethylaminoazobenzene 8.6068001 8.5183945 0.088405997 2-Dimethylaminoethylphosphon9.2592402 9.7751436 -0.51590359 1-Dimethylamino-3-phenylprop9.0914898 9.1132803 -0.021790063 3-(Dimethylamino)propylamine9.1146297 9.1276598 -0.013029578 4-Dimethylaminopyridine 8.8645697 9.2070475 -0.34247792 2,6-dimethylaniline 8.4876099 8.6194448 -0.13183495 N,N-dimethylaniline 8.4482899 8.8730431 -0.42475337 dimethylarginine - assymetri9.2249899 9.0847616 0.14022838 N,N-dimethylarginine 9.1386204 8.7782431 0.36037728 N,N'-dimethylarginine 9.2044497 8.8911829 0.31326705 2,4-dimethylbenzamide 9.5044003 9.2291861 0.27521369 N,N-dimethylbenzylamine 9.1130199 9.125412 -0.012392014 1,5-dimethylbicyclo[3.2.1]oc10.07945 9.5357533 0.54369682 2,2-dimethylbutane 11.50923 11.50923 -2.9558578E-12 2,3-dimethylbutane 11.36679 11.36679 1.4672707E-12 2,2-dimethyl-1-butanol 10.90163 10.802994 0.098636314 3,3-dimethyl-1-butanol 10.72606 10.784731 -0.058670875 N,N-dimethylbutylamine 9.0855598 9.7735052 -0.68794531 dimethyl carbonate 11.62409 10.960344 0.66374552 2,4-dimethyl-3-cyclohexen-1-9.6645699 9.5553865 0.10918379 2,4-dimethylcyclohex-3-ene-19.7741404 9.551054 0.2230856 2,4-dimethylcyclohex-3-ene-19.4508801 9.5403585 -0.089478768 3,5-dimethylcyclohex-3-ene-19.4905195 9.5339861 -0.04346602 beta,4-dimethylcyclohex-3-en9.4412899 9.5423031 -0.10101264 1-(2,4-dimethyl-3-cyclohexen9.5094299 9.324935 0.18449549 1-(5,5-dimethyl-1-cyclohexen9.9413204 9.7025919 0.23872824 1-(3,3-dimethylcyclohexyl)et10.53826 10.270003 0.2682569 4,8-dimethyl-4,9-decadienal 9.6743698 9.6418819 0.032487664 5,9-dimethyl-4,8-decadienal 9.4840097 9.4847822 -0.00077228266 dimethyldiborane 11.15127 11.15127 1.7195134E-12 2,5-dimethyl-6,7-dihydro-5H-9.6584101 9.1872587 0.47115132 3,5-dimethyl-6,7-dihydro-5H-9.6410904 9.1872587 0.45383134 dimethyldioctadecylammonium 12.04105 7.8536859 4.1873641 dimethyl disulfide 9.23734 9.2481108 -0.01077117 N,N-dimethyldopamine 8.7514696 8.7147217 0.036748745 N,N-dimethylethanolamine 9.1517601 9.7136316 -0.56187177 N,N-dimethylethylamine 9.0544996 9.5859814 -0.53148162 N,N-dimethyl formamide 9.2585001 9.2585001 6.0094152E-12 dimethyl fumarate 11.36983 10.580289 0.78954142 2,5-dimethylfuran 8.8427696 9.3213949 -0.47862524 dimethyl glutarate 11.21684 10.753708 0.46313223 2,2-Dimethyl-2H-1-benzopyran8.7390299 9.0445385 -0.30550835 2,3-dimethylheptane 11.1083 10.977726 0.13057399 2,4-dimethylheptane 11.03381 10.629608 0.40420172 2,6-dimethylheptan-2-ol 11.02592 10.93732 0.088599823 N,N-dimethylheptylamine 9.06493 9.6727514 -0.60782135 N,N-dimethylhexadecylamine 9.0635004 9.6702185 -0.60671854 2,3-dimethylhexane 11.13533 10.998593 0.13673623 2,4-dimethylhexane 11.07006 10.732582 0.33747807 dimethyl hexanediol 11.07606 10.955326 0.12073417 N,N-dimethylhexylamine 9.0651197 9.6985159 -0.63339549 5,5-dimethylhydantoin 10.16838 10.076929 0.091450676 B-N-Dimethylleucine 9.4050102 9.9523916 -0.54738128 N,N-Dimethyllysine 11.34683 11.505622 -0.15879197 dimethyl maleate 11.30699 10.580289 0.72670144 dimethyl malonate 11.2899 10.855799 0.43410116 3,7-dimethyl-2-methylene-6-o9.5254202 9.446208 0.079211786 dimethyl 4-(methylthio)pheny8.9333296 9.2421675 -0.30883777 4-(4,8-dimethyl-3,7-nonadien9.4826498 9.1237621 0.35888755 3,7-dimethylocta-2,6-diene-19.1101103 8.816102 0.29400817 2,3-dimethyloctane 11.10266 10.96322 0.13944019 3,7-dimethyloctanenitrile 11.49766 10.501641 0.99601901 2,6-dimethyl-6-octanol 11.09749 11.060837 0.036653478 3,7-dimethyl-1-octanol 10.83162 10.344707 0.48691365 2,6-dimethyl-7-octen-2-ol 10.17715 10.15873 0.018420497 dimethyl octenone 9.4107103 9.6046228 -0.19391277 N,N-dimethyloctylamine 9.07055 9.6535273 -0.58297718 dimethylol dimethyl hydantoi10.36055 9.8591814 0.50136834 2,2-dimethylpentane 11.18126 11.048677 0.13258293 2,3-dimethylpentane 11.28402 11.175771 0.10824964 2,4-dimethylpentane 11.49539 11.097728 0.39766198 3,3-dimethylpentane 11.48961 11.177798 0.31181204 2,2-dimethyl-1-pentanol 10.89645 10.385614 0.51083529 2,3-dimethylpentanol 10.76296 10.858273 -0.095312871 2,4-dimethyl-1-pentanol 10.90897 10.611515 0.29745477 N,N-dimethylpentylamine 9.0586901 9.7316961 -0.6730063 N,N-dimethylphenethylamine 9.1343803 9.1168823 0.017497636 2,3-dimethylphenol 8.9950104 9.1486874 -0.15367718 2,4-dimethylphenol 8.8579102 9.1003304 -0.24242027 2,5-dimethylphenol 8.9283199 9.1003304 -0.17201027 2,6-dimethylphenol 8.9640703 9.2488766 -0.28480643 3,4-dimethylphenol 8.9013395 9.0379791 -0.13663958 3,5-dimethylphenol 9.0493498 8.9894733 0.059876952 N,N-dimethylphenylalanine 9.3509302 9.0715303 0.27939931 1,1-dimethyl-2-phenylethyl a9.5543699 9.6863422 -0.13197264 1,1-dimethyl-2-phenylethyl i9.5402603 9.7083511 -0.16809116 dimethylphenylpiperazinium (11.9914 11.818303 0.17309713 dimethyl phthalate 10.33504 10.210618 0.12442181 1,4-dimethylpiperidine 9.0187702 9.8470688 -0.82829922 1-(1,1-dimethylpropyl)-4-eth10.37838 10.33274 0.045639746 dimethyl succinate 11.34191 10.799247 0.54266357 dimethyl sulfone 11.20039 11.20039 6.1906036E-12 dimethyl sulfoxide 9.3234396 9.9743023 -0.65086204 dimethyl terephthalate 11.09273 10.748344 0.34438583 N,N-Dimethyl-1-tetradecanami9.9077501 9.7900648 0.11768555 dimethyl(tetradecyl)phosphin9.7358103 10.337015 -0.60120505 dimethylthiambutene 9.0531197 9.3846321 -0.33151168 N,N-dimethyltoluamine 8.35847 8.7688389 -0.41036868 dimethyl(tridecyl)phosphine 9.7483702 10.269938 -0.52156854 dimethyl trisulfide 9.1448202 8.9393473 0.20547277 3, 5-dimethyl-1,2,4-trithiol9.0080404 8.5686817 0.439358 N,N-dimethyltryptamine 8.4129696 8.3144093 0.098561205 (Z)-6,10-dimethylundeca-5,9-9.3592501 9.6518593 -0.29260957 (E)-6,10-dimethylundeca-5,9-9.3947401 9.6518593 -0.25711957 6,10-dimethylundecen-2-one 9.4397602 9.5480433 -0.10828306 dimethylvinphos 8.6444397 9.1552305 -0.51079065 dimetilan 9.3358898 9.07201 0.26388016 dimiracetam 9.9672403 9.7409239 0.2263162 dimoxystrobin 9.0599403 8.9700241 0.089916155 dinex-diclexine 10.52689 10.489656 0.03723358 diniconazole-M 9.3480396 9.4989471 -0.15090671 dinitolmide 10.50936 10.906301 -0.39694017 dinitramine 10.05884 9.6199837 0.43885639 1,1-dinitroethane 12.62191 12.62191 3.1441516E-12 2,4-dinitrofluorobenzene 11.54265 10.97497 0.56767976 dinitrogen pentoxide 13.02258 13.02258 -1.1013412E-12 dinitrogen tetroxide 11.54859 10.896662 0.65192789 dinitrogen trioxide 10.63745 10.673839 -0.036389057 dinitrophenol 10.89571 10.631812 0.26389799 dinobuton 11.02312 10.703503 0.31961724 dinocap 10.83442 10.393747 0.44067243 dinofenate 11.25716 11.588236 -0.33107582 dinopenton 11.01872 10.724243 0.29447672 dinoprop 10.45381 10.264691 0.18911842 dinoseb 10.66879 10.704845 -0.036055829 dinoterb 10.5252 10.511165 0.014035392 dinoterb acetate 10.90944 10.673345 0.23609577 dinoterbon 11.02195 10.703032 0.31891802 dintromethane 12.7229 12.7229 1.8065549E-12 dioctyl adipate 10.93819 10.821188 0.11700176 dioctyl dimethyl ammonium ch8.7625399 8.7625399 2.4886759E-12 dioctyl sebacate 11.18304 10.97058 0.21246035 di-n-octyl sodium sulfosucci9.6352301 9.4254303 0.20980003 diosmetin 8.8658304 8.8377943 0.028036019 dioxabenzofos 9.36549 8.9391565 0.42633307 dioxacarb 9.5587101 9.5170755 0.041634303 1,4-dioxacyclohexadecane-5,111.09058 11.344143 -0.25356305 1,4-dioxane 10.45143 10.798343 -0.34691277 dioxapyrrolomycin 9.1020803 9.26614 -0.16405955 dioxathion 9.3320904 9.4399929 -0.10790296 1,2-dioxetane 10.96888 11.376605 -0.40772501 1,3-dioxetane 10.52278 10.814375 -0.29159489 dioxirane 11.96161 11.421338 0.54027152 1,3-dioxolane 10.51873 10.775307 -0.2565771 diphacinone 9.5306196 9.7861423 -0.25552228 diphenamid 9.4288397 9.0707369 0.35810339 diphenicillin sodium 11.25876 9.6891336 1.569626 diphenidol 9.1527395 9.0887852 0.063954413 diphenylamine 8.4049397 8.392602 0.012337989 diphenyl disulfide 9.2223396 9.0875368 0.13480283 Diphenylmethane 9.4778099 9.1949806 0.28282952 diphenylsilanediol 9.3277102 9.0973139 0.2303964 diphetarsone 5.9927001 6.0281639 -0.035463743 diphthamide 8.46696 8.925292 -0.45833242 dipivefrin 9.3855801 9.140851 0.24472894 dipotassium hydrogen citrate7.20718 6.8134823 0.39369765 dipotassium phosphate 6.0121598 6.0537744 -0.041614138 dipropetryn 8.9796696 8.7488651 0.23080473 1,1-dipropoxyethane 10.42094 10.902347 -0.48140696 N,N-dipropylacetamide 9.5476398 9.6691313 -0.12149172 dipropylamine ether 9.4476604 9.5739746 -0.12631497 di-n-propylamine 9.1567898 10.072751 -0.91596144 dipropylene glycol 10.60151 10.468243 0.13326697 dipropylene glycol dibenzoat10.06924 9.6759672 0.39327294 dipropylene glycol methyl et10.60366 10.369359 0.23430069 dipropylene glycol monobutyl10.43736 10.513283 -0.075922973 dipropylene glycol monopropy10.43103 10.53383 -0.10280008 dipropylene glycol salicylat9.5130196 9.8134747 -0.3004542 dipropyl ether 10.48473 10.930841 -0.44611129 dipropyl phthalate 10.31985 10.505202 -0.1853521 dipropyl pyridine-2,5-dicarb10.66781 10.242327 0.4254837 dipropyltryptamine 8.2699699 8.1400909 0.12987931 diproqualone 8.8757 9.1483717 -0.27267203 dipyridamole 8.4296198 8.6915054 -0.26188555 dipyrithione 9.0070105 9.0070105 3.4917846E-10 dipyrocetyl 9.8907404 9.8982897 -0.0075500878 dipyrone 8.3099098 8.3099098 4.1648462E-11 Direct Black 17 8.0455198 8.0455198 4.7346838E-10 diroximel fumarate 10.30736 10.219828 0.087532528 disalicylalpropylenediimine 8.9830704 8.6172514 0.36581898 disermolide 9.3577499 9.2686033 0.089146331 disilane 9.8992901 9.520566 0.37872431 disodium dodecylbenzenesulfo8.4832296 8.5344782 -0.051247954 disodium etridonate 7.1173 7.199337 -0.082037039 disodium isodecyl sulfosucci7.9462199 9.090868 -1.144648 Disodium laureth sulfosuccin8.2131701 8.0716915 0.14147811 disodium phosphate 6.9201999 7.6242075 -0.70400739 disodium pyrophosphate 8.6636105 7.4000387 1.2635714 disodium zinc EDTA 7.1828198 7.1828198 2.3190339E-12 disopyramide 8.6611099 8.9780169 -0.31690678 Disperse Black 9 (C.I.) 8.4619503 8.3517675 0.11018228 Disperse Blue 1 8.0803003 8.0293894 0.050910626 Disperse Orange 37 9.1917601 9.0713463 0.12041387 Disperse Red 9 9.0339899 9.2236929 -0.18970329 Disperse Violet 1 8.1419697 8.2240019 -0.08203195 distearyldimonium chloride 4.0325899 7.8536859 -3.8210959 distearyl thiodipropionate 9.22437 9.7369862 -0.51261657 disulfiram 7.6458101 8.4195881 -0.77377826 disulfoton 9.1010599 9.0212193 0.079840489 ditalimfos 10.3689 9.8110285 0.55787128 ditazole 8.6313696 8.7843075 -0.15293784 2,6-Di-tert-butylphenol 8.8930902 9.1607056 -0.26761574 5,6-dithiadecane 9.3342199 9.942564 -0.60834372 dithicrofos 8.6831999 8.73172 -0.048520412 1,2-dithietane 8.6726599 8.9221687 -0.2495084 1,3-dithietane 9.3500099 9.3229246 0.027085254 dithiobutylamine 9.2260504 8.7516708 0.47437924 1,2-dithiolane 8.42556 8.6184587 -0.1928983 1,3-dithiolane 9.1902905 8.6999054 0.4903844 dithiopyr 10.01482 9.763957 0.25086302 dithiothreitol 9.3137302 9.4534798 -0.13974956 2,3-divinylbutadiene 9.0301104 9.4803915 -0.45028156 divinyl ether 9.27355 9.7910786 -0.5175283 m-divynylbenzene 9.0085096 9.120717 -0.11220703 Djenkolic acid 9.3479795 9.0449343 0.30304545 DMCP 9.2599201 8.9667501 0.29316992 DNOC 10.51803 10.66654 -0.14851005 docosahexaenoic acid 9.2867603 9.1157579 0.171002 docosanol 10.89534 10.833229 0.062111065 dodecamethylcyclohexasilane 8.1334801 8.557373 -0.42389297 dodecamethylcyclohexasiloxan8.1406002 7.8611827 0.27941725 dodecane 11.26467 10.813148 0.45152178 dodecanenitrile 11.37276 11.505625 -0.13286485 dodecenal 10.40761 10.296597 0.1110128 dodecyl(dimethyl)phosphine o9.7545996 10.206973 -0.45237267 2,2'-[(Dodecylimino)bis(2,1-9.2973604 9.3675623 -0.070202686 N-dodecyl methacrylate 10.53317 10.472386 0.06078342 dodine 12.41783 11.899988 0.51784223 dolutegravir 8.8863401 8.7860479 0.1002916 domoic acid 9.3172398 9.1787968 0.13844283 domperidone 8.6023903 8.8954973 -0.29310706 dopamine 8.83957 8.6951799 0.14439014 doproxydim 9.0846205 9.2573538 -0.17273346 doripenem 9.1507502 8.923893 0.22685681 dorzagliatin 8.5970297 8.8384714 -0.24144118 dorzolamide 10.00057 10.00057 6.2794214E-12 dothiepin 8.47054 8.4467278 0.023812329 Dowcil biocide 8.7169905 8.6625824 0.054408021 Dowco 214 9.1242504 9.0474281 0.076821789 Dowco-417 9.5939102 9.7687244 -0.17481428 DowElanco oomycete fungicide9.5090399 9.3566504 0.15239002 doxepin 8.9049597 8.5124102 0.39254957 doxifluridine 9.6824503 9.6910391 -0.0085890479 doxylamine 9.02143 9.0747757 -0.053345457 3,4-DP 9.1686497 9.3318148 -0.16316512 DPX-A7881 9.25914 9.5046854 -0.24554521 drazoxolon 9.1131496 9.3769197 -0.26376989 drometrizole 9.0500498 8.4229345 0.62711543 dronedarone 9.1096601 8.6976833 0.41197711 droperidol 8.5977898 8.7352648 -0.13747518 drosophilin A 8.8899698 8.8138018 0.076168261 drostanolone 10.36613 10.094625 0.27150524 droxicam 9.5766401 9.5007753 0.0758643 droxidopa 8.85291 9.2380333 -0.38512328 DU-6859a 8.9926996 8.6762648 0.31643489 dulcin 8.3543196 8.9040718 -0.5497514 duloxetine 8.5490103 8.6303644 -0.081354529 dunnione 9.3710003 9.636116 -0.26511624 DuPont oxime fungicide 9.3154402 9.0896711 0.22576934 dutasteride 9.5153799 9.5037756 0.011604227 dutetrabenazine 8.69174 8.5332727 0.1584675 dutogliptin 9.2744999 9.0200033 0.25449628 duvoglustat 9.6267004 9.8419666 -0.21526679 dymuron 8.7826996 8.6331081 0.14959148 dyphylline 8.8223104 9.0694637 -0.2471533 dypnone 9.3150501 9.3465519 -0.031502277 E-4695 8.4159002 8.8305283 -0.41462842 ebanicline 9.2954998 9.1852207 0.1102794 Ebanol 9.4025602 9.486783 -0.084222823 EBP 9.4802999 9.211915 0.26838511 eburnamonine 8.4967098 8.5765162 -0.079806089 ecamsule 9.0222502 9.0273438 -0.0050940542 ecgonidine 9.4738102 9.3966246 0.07718575 ecgonine 9.32656 9.5039673 -0.17740704 echinenone 7.8461199 7.456502 0.3896178 echinine 8.2096004 8.3765926 -0.16699229 echinone 9.3152304 9.2498388 0.065390997 econazole 9.3898697 9.2281561 0.16171381 ecopladib 8.59128 8.7123299 -0.12104961 ectoine 9.4333296 9.5612154 -0.12788576 ectylurea 9.8898201 9.4892073 0.40061283 edaravone 8.6931496 9.1890745 -0.49592435 edetate disodium 8.2406702 8.0245609 0.21610892 edetol 9.1364899 9.5202961 -0.38380614 edifenphos 9.1329899 8.9921236 0.14086625 edivoxetine 9.3151102 9.6066866 -0.2915763 edoxaban 8.9563904 8.7037754 0.25261438 edoxudine 9.28862 9.4731941 -0.18457401 edrophonium chloride 8.3930902 8.41014 -0.017050114 efaproxiral 8.66502 8.7809076 -0.11588772 efinaconazole 9.2617102 9.6403809 -0.37867084 eflornithine 9.7126503 9.7431326 -0.030482695 eglinazine 9.3188801 9.1672182 0.15166208 eglumetad 10.0937 10.054943 0.038756706 eicosapentaenoic acid 9.6859999 9.2794609 0.40653896 11-eicosen-1-ol 9.6540298 10.409211 -0.75518101 elacytarbine 9.3332005 9.3793011 -0.046101075 elafibranor 8.7688599 8.7814169 -0.012556942 elagolix 9.1280203 8.9473085 0.18071143 elamipretide 9.007 9.0699072 -0.06290704 eleclazine 8.7969103 9.2524443 -0.45553428 elemicin 9.0461397 8.9736176 0.0725227 alpha-eleostearic acid 8.6768703 8.724515 -0.04764466 elesclomol 9.0114603 9.3592882 -0.34782854 elinogrel 8.6879702 8.5884914 0.09947826 elobixibat 8.5201302 8.9669247 -0.44679436 elpetrigine 8.77073 8.6547203 0.11600935 elsibucol 8.9165802 8.7303438 0.18623659 eltrombopag 8.3494997 8.582922 -0.23342155 elubrixin 8.8593597 8.7767878 0.082572475 eluxadoline 8.57973 8.9232025 -0.34347239 elvitegravir 8.6392498 9.1689415 -0.52969128 elvucitabine 9.3347197 9.3349495 -0.00022989853 elzasonan 8.7928305 8.6949701 0.097859934 Emcol quat amine biocide 8.57792 8.3394489 0.2384706 emicerfont 8.4764204 8.8851681 -0.40874788 emitefur 9.7728996 9.7069483 0.065951601 emivirine 9.3977604 9.2613392 0.13642035 emixustat 8.9913998 9.1128654 -0.12146553 emorfazone 9.2833004 9.2378836 0.045416415 empagliflozin 9.1264801 9.3116875 -0.1852074 emricasan 8.9286404 9.0270071 -0.098366663 emylcamate 9.8278103 9.7161064 0.11170366 enalaprilat 9.5659199 9.3738279 0.19209228 enallypropymal 10.34624 10.034374 0.31186554 enasidenib 9.2313299 9.0416803 0.18964964 enbucrilate 11.14397 11.190176 -0.04620624 encainide 8.5838499 8.6890993 -0.10524898 encaleret 9.3257599 9.0018845 0.32387513 encenicline 8.9932604 8.8989162 0.094343573 encorafenib 8.8393402 8.620923 0.21841712 endosulfan 9.4153004 9.5848751 -0.16957499 endothall 11.34657 10.645336 0.70123351 endothion 9.6211996 9.3143511 0.30684888 endrin 9.47925 9.5004234 -0.021173671 enduracididine 9.4457903 9.4681215 -0.022331083 enflurane 11.24451 11.657694 -0.41318399 englitazone 9.1205997 9.2815828 -0.16098265 enobarsarm 9.5478601 9.8248873 -0.27702719 enocitabine 9.4672604 9.5547314 -0.087471634 enoxacin 8.8204098 8.9691486 -0.14873876 enoxastrobin 8.8241196 8.6530905 0.17102961 enrofloxacin 8.7810097 8.7019329 0.079076625 ensaritinib 8.8270903 8.6483812 0.17870843 entecavir 8.7412701 8.849617 -0.10834699 enterodiol 9.0867395 8.932229 0.15451059 enterolactone 9.0395203 9.3854666 -0.34594622 entinostat 8.5521498 8.717267 -0.16511701 entospletinib 8.1610298 7.8187747 0.34225529 entrectinib 8.5114899 8.5693769 -0.057886556 enzalutamide 9.2515802 9.5002136 -0.24863407 enzastaurin 8.0718699 8.2560616 -0.18419126 Eosin I Bluish (Eosin B) 7.10532 7.3195014 -0.21418132 epacadostat 8.99193 9.6604452 -0.66851532 EPBP 8.9718304 8.6791296 0.29270002 epelsiban 9.4252701 9.3885775 0.036692139 epetirimod 8.4600401 8.7371721 -0.27713203 ephedrine 9.3571596 9.2429476 0.11421207 epicatechin 8.95399 8.7864208 0.16756946 epichlorohydrin 10.54423 10.460208 0.084021658 epimestrol 8.88099 9.4851503 -0.60416055 epinastine 7.9501901 8.695364 -0.74517351 epinephrine 8.8467302 8.8628445 -0.01611419 epirizole 9.0688105 9.0393419 0.02946792 epiroprim 8.5162802 8.5273533 -0.011073519 epitiostanol 9.1262503 9.5720377 -0.44578785 eplerenone 10.30149 10.208143 0.093346983 EPN 9.3529902 8.8523636 0.50062656 epofenonane 8.9258404 9.2381945 -0.31235433 epoxiconazole 9.6997499 9.591568 0.10818215 epoxomicin 9.4658003 9.3841772 0.081622995 8,9-epoxycedrane 10.62743 10.146094 0.48133531 eprodisate disodium 8.7420702 8.7432823 -0.0012121595 epronaz 9.2808199 9.013526 0.26729438 E-EPSeU 9.2824898 8.7319069 0.55058295 eptazocine 8.8013296 8.7888908 0.012439507 EPTC 9.3863802 9.496151 -0.10977127 E-EPU-S 9.0486603 8.7566814 0.29197857 equilenin 8.4776802 8.9494467 -0.47176629 equol 8.8487501 8.863492 -0.014741919 erbon 9.2832499 9.3438673 -0.060617115 ergocalciferol 8.6025 8.3388548 0.26364499 ergosterol 8.6835499 8.8086338 -0.12508395 ergothioneine 8.3446503 8.863553 -0.51890272 eribaxaban 8.2924995 8.7230024 -0.43050256 erismodegib 8.3975496 8.3513756 0.046174735 erteberel 8.6579304 9.0101099 -0.35217947 ertugliflozin 9.0236101 9.3502035 -0.32659319 erucin 9.0839596 8.8104658 0.27349466 erysodienone 8.7946701 8.6409092 0.15376113 erythritol 10.94991 10.596741 0.35316956 erythritol tetranitrate 11.88692 11.830274 0.056646265 esculetin 9.0323801 9.2285471 -0.19616742 esdepallethrine 9.6596699 9.5766964 0.082973622 eseridine 8.6541595 8.7046738 -0.050513878 esketamine 9.2176104 9.3209429 -0.10333316 esmirtazapine 8.5909595 8.7548571 -0.16389687 esmolol 9.0182505 9.2463942 -0.22814384 esomeprazole 3.71071 3.71071 2.2696423E-10 esprocarb 9.3164997 9.1419106 0.17458984 esreboxetine 8.6152897 8.8366375 -0.22134769 estradiol 8.8450899 9.3259077 -0.48081794 estradiol benzoate 9.1938696 9.322957 -0.12908724 estradiol cypionate 8.8865404 9.2264929 -0.33995256 estradiol dipropionate 9.2554598 9.7262249 -0.47076449 estradiol valerate 8.9032602 9.1489363 -0.24567592 estragole 8.9919395 9.1502056 -0.15826604 estramustine 9.4065599 9.5223227 -0.11576272 estriol 8.8821497 9.3384933 -0.45634368 estrone 8.9954596 9.3439035 -0.34844381 etacelasil 10.08721 9.8403025 0.24690735 etaconazole 9.4171896 9.7450848 -0.32789516 etaqualone 8.9270201 8.8917027 0.035317179 eterobarb 9.8445196 9.6579943 0.18652561 ethaboxam 9.1514702 9.2534666 -0.10199648 ethacridine 7.87427 7.9024768 -0.02820662 ethadione 10.52508 10.11485 0.4102301 ethalfluralin 10.10536 10.303048 -0.19768788 ethambutol 9.08848 9.2226658 -0.1341861 ethametsulfuron methyl 9.1759996 9.5046854 -0.32868519 ethamivan 9.3105497 8.8940744 0.41647592 ethane 11.97314 11.97314 2.9043434E-12 ethanearsonic acid 10.83814 11.066356 -0.22821583 ethanethiol 9.19382 9.6214094 -0.42758948 ethanol 10.89679 10.47416 0.42262968 ethanolamine 9.48913 9.2880335 0.20109634 ethanolamine borate 9.8435097 10.000199 -0.1566893 ethaprochlor 9.2926302 9.276598 0.016032083 ethcathinone 9.30511 9.2894001 0.015709894 ethdium bromide 7.30303 7.6169853 -0.31395555 1-ethenyl-3-methylbenzene 9.0767002 9.2526693 -0.17596911 1-ethenyl-4-methylbenzene 8.9380999 9.2526693 -0.31456912 ethenzamide 9.6563196 9.2852983 0.37102211 ethephon 10.53568 10.355965 0.17971535 ethidimuron 9.7226601 10.028508 -0.30584815 ethiofencarb 8.8386402 8.7786598 0.059979983 ethiolate 9.3595505 9.2404165 0.11913349 ethion 9.2184801 9.2019482 0.016531605 ethionamide 8.9305696 8.9504957 -0.019925959 ethionine 8.9952898 9.0431519 -0.047861397 ethiozin 9.2909203 9.5560474 -0.26512772 ethiprole 9.3509102 9.6777802 -0.32686979 ethirimol 8.74543 8.7361641 0.0092657246 ethoate methyl 9.5058804 9.3077517 0.19812867 ethofumesate 8.84163 8.9289007 -0.087270439 ethoheptazine 8.9727697 9.3215075 -0.34873793 ethoprop 9.5986404 9.8204126 -0.22177248 ethopropazine 7.8512902 7.9036388 -0.05234874 ethosuximide 10.36409 10.008142 0.35594827 ethotoin 9.9085903 9.4563303 0.45225957 ethoxazene 8.3192396 8.1738348 0.14540523 4-ethoxy-1-butanol 10.51572 10.476733 0.038986739 1-ethoxy-3,7-dimethylocta-2,9.32236 9.4222946 -0.099934377 2-ethoxyethyl acetate 10.6766 10.836882 -0.1602812 ethoxyfen 9.5149803 9.4921541 0.022825891 ethoxyfen-ethyl 9.4991703 9.4419222 0.05724743 ortho-(ethoxymethyl)anisole 8.9805498 9.448616 -0.46806574 2-Ethoxy-9-methylen-2,6,6-tr9.8274603 9.77178 0.055679787 1-ethoxy-4-(7-methyloctyl)be8.8988199 9.5086851 -0.60986549 ethoxynonane 10.48858 10.786115 -0.29753461 ethoxyquin 8.2899599 8.2463341 0.043625623 ethoxysulfuron 9.3278399 9.4317303 -0.10388982 ethychlozate 8.9371796 9.1894598 -0.25227964 ethyl acetate 11.25009 10.861107 0.38898316 ethyl acetoacetate 11.00553 10.659019 0.34651044 ethyl 6-acetoxyhexanoate 11.21759 10.751101 0.46648952 ethyl acrylate 11.03931 10.568954 0.4703567 4-ethyl-alpha,alpha-dimethyl9.3854904 9.4055815 -0.020091239 ethylamine 9.3742399 9.7766771 -0.40243724 N-ethylamphetamine 9.14641 9.0539246 0.092485286 ethylan 9.3354502 8.9009485 0.43450129 ethylasparagine 9.63274 9.6234875 0.0092528751 N(4)-ethylasparigine 9.5392904 9.7202845 -0.1809943 N-ethylbenzamide 9.3494301 9.3819923 -0.032562297 ethylbenzene 9.40592 9.3701677 0.035752416 ethylbenzhydramine 9.1213102 8.9601479 0.16116239 ethyl benzoate 10.05511 9.9644728 0.090637013 alpha-ethylbenzyl alcohol 9.5411997 9.9349031 -0.39370313 1-(1-ethyl-5-bicyclo[2.2.1]h10.61412 10.206348 0.40777117 2-ethyl-1-butanol 10.9344 10.896965 0.037434906 ethyl butyrate 11.16234 11.183171 -0.020831063 ethyl cinnamate 9.46527 9.5822325 -0.1169628 ethyl citroate 11.04954 10.880516 0.16902427 ethyl cyanoacrylate 11.14779 10.84273 0.30506033 ethylcyclohexane 11.12265 10.734564 0.38808623 ethylcyclopentane 11.09565 10.724376 0.37127399 ethyl 2,4-decadienoate 9.6459999 9.7940083 -0.1480086 ethyl decanoate 11.1694 10.912047 0.25735229 2-ethyl-2,5-dihydro-4-methyl9.4979897 9.23944 0.25855047 ethyl 2,4-dimethyl-1,3-dioxo10.72201 10.777873 -0.055863332 2-ethyl-4,5-dimethyl-1,3-thi9.3806 9.3813648 -0.00076521322 ethylene 10.64266 10.170615 0.47204474 ethylene bis trichloroacetat10.97417 11.028081 -0.053911399 ethylene carbonate 11.77486 11.363235 0.41162476 ethylenediamine 9.4016705 9.4610968 -0.05942674 ethylenediaminetetraacetic a10.54955 10.823047 -0.27349633 ethylene dibromide 11.21919 11.2192 -0.000009999997 ethylene dichloride 10.67573 10.406392 0.26933792 ethylene diisothiocyanate 9.4263401 9.6152697 -0.18892944 ethylene glycol 10.81788 10.765027 0.052852679 ethylene glycol butyl ether 10.55186 10.651334 -0.099473879 ethylene glycol dinitrate 12.00658 12.217349 -0.2107687 ethylene glycol ethyl ether 10.54608 10.640387 -0.094306856 ethylene glycol methyl ether10.62768 10.52588 0.1018005 ethylene glycol monoethyl et10.76134 10.836882 -0.075541191 ethylene glycol, mono(2-ethy10.4831 10.336623 0.14647681 ethylene glycol propyl ether10.54533 10.700491 -0.15516065 ethylene glycol n-hexyl ethe10.55141 10.584193 -0.032783035 ethylene oxide 11.33774 10.627255 0.71048415 ethylene thiourea 8.6771603 9.1807842 -0.50362432 ethyl 2,3-epoxy-3-phenylprop9.9325399 9.9218044 0.010735777 ethyl ether 10.47744 10.802616 -0.32517657 ethyl 3-ethoxypropionate 10.6883 10.794904 -0.10660407 N-ethylflavinium ion 12.5366 12.237595 0.29900527 ethyl formate 11.15851 10.938951 0.21955895 ethyl glutamate 9.9483099 10.134177 -0.18586764 ethyl heptanoate 11.16769 11.006063 0.16162781 2-ethyl-1,3-hexanediol 10.57521 10.493287 0.081922881 ethyl hexanoate 11.16562 11.054721 0.11089939 2-ethylhexanoic acid 11.13949 10.680194 0.45929652 2-ethyl-1-hexanol 10.82877 10.330195 0.49857438 2-ethylhexyl benzoate 10.06558 9.9718237 0.09375608 2-ethylhexyl methacrylate 10.53384 10.262302 0.27153796 2-ethylhexylsalicylate 9.4482203 9.6224585 -0.17423856 2-ethylhexylsulfate 11.15799 10.588486 0.56950462 O-Ethylhomoserine 9.9395103 9.9108429 0.028666776 ethyl hydrocinnamate 9.5605001 9.8105297 -0.25002992 ethylicin 9.81565 9.8892117 -0.073561564 ethylidene diacetate 11.23737 10.947003 0.2903671 g-Ethylidene glutamic acid 10.04034 9.6388865 0.401454 ethyl isobutyrate 11.05318 10.639292 0.41388822 ethyl isovalerate 11.12576 10.975017 0.1507438 ethyl lactate 11.08502 10.848272 0.23674814 ethyl laurate 11.16991 10.88707 0.28284076 ethyl levulinate 10.90104 10.593398 0.30764169 ethyl linalool 9.1726503 9.6359739 -0.46332395 ethyl linalyl acetal 9.2307701 9.3931913 -0.16242108 ethyl linalyl acetate 9.3247805 9.6407127 -0.31593269 ethyl loflazepate 9.16924 9.2312746 -0.062034801 n-ethylmaleimide 10.10536 9.9139013 0.19145828 ethyl maltol 9.2737303 9.5759916 -0.30226177 N-ethyl-4-methoxycinnamide 8.9296398 8.8889875 0.040652197 ethyl 2-methylbutyrate 11.03368 10.859962 0.17371805 ethyl 2-methyl-1,3-dioxolane10.81145 10.767171 0.044278827 ethyl methylphenylglycidate 9.8694801 9.8194714 0.050008964 O-ethyl methylphosphonothioi9.1708498 9.863575 -0.69272476 ethyl (methylthio)acetate 9.1228304 9.729991 -0.60716105 ethyl myristate 11.16971 10.896099 0.27361116 ethyl 2-naphthaleneacetate 8.8548498 9.2186937 -0.36384386 ethyl 1-napthaleneacetate 8.8705597 9.2732382 -0.40267834 ethyl nitrite 10.66316 10.934462 -0.27130136 ethyl nonanoate 11.16685 10.935352 0.23149803 ethyl octanoate 11.16719 10.966501 0.2006889 ethyl palmitate 11.16686 10.884561 0.28229919 2-(1-ethylpentyl)-1,3-dioxol10.39409 10.410138 -0.016047746 2-ethylphenol 9.0641403 9.0838528 -0.019712903 3-ethylphenol 9.0978899 8.9619188 0.13597101 4-ethylphenol 9.0038404 8.9619188 0.041921012 ethyl phenylacetate 9.7310305 9.8251429 -0.094112843 3-(p-ethylphenyl)-2,2-dimeth9.4665899 9.2105846 0.25600523 ethylphenyl ether 9.0743999 9.4179239 -0.34352434 ethyl phenyl ketone 9.9946804 9.7895861 0.20509413 3-ethylphenyl N-methylcarbam9.4463997 9.0973339 0.34906578 ethyl propionate 11.15237 10.73502 0.41734993 4-ethylpyridine 10.03362 9.6251993 0.4084208 N-ethylpyrrolidinone 9.5213699 9.7595673 -0.23819706 ethyl safranate 9.22684 9.3829451 -0.15610483 ethyl salicylate 9.3653603 9.7135458 -0.34818587 ethyl stearate 11.16594 10.957526 0.2084139 ethyl sulfate 11.63164 11.098277 0.53336263 ethyl tert-butyl ether 10.4462 10.184387 0.26181248 ethyl tosylamide 10.03681 9.7289572 0.30785319 ethyltriacetoxysilane 10.33341 10.64465 -0.31123951 alpha-ethyltryptamine 8.3671999 8.3574963 0.0097033726 ethyl valerate 11.16165 11.113353 0.048296962 eticyclidine 9.1323004 9.1842308 -0.051931225 etidronic acid 9.8284197 10.230565 -0.4021447 etifelmin 9.0508804 8.8571644 0.19371583 etifoxine 8.4470701 9.0356121 -0.58854228 etiguanfacine 9.2866697 9.3533583 -0.066688277 etilevodopa 9.1572304 9.1313725 0.025857903 etinofen 10.63959 10.717209 -0.077618711 etiracetam 9.4861097 9.5718565 -0.085746132 etnipromid 9.6338396 9.6331358 0.00070427731 etobenzanid 8.8069696 8.6020279 0.20494241 etocrylene 9.87255 9.6029778 0.26957196 etodolac 8.3322201 8.6348152 -0.30259541 etoglucid 10.64124 10.49118 0.15006001 etomidate 9.68995 9.3718519 0.31809843 etonogestrel 10.00597 9.8143473 0.1916223 etoricoxib 9.6764498 9.267951 0.40849882 etoxadrol 9.4943199 9.5301647 -0.03584468 etoxazole 9.1322603 9.3051682 -0.17290802 etrasimod 8.2537699 8.0881453 0.16562451 etretinate 8.3842201 8.2784519 0.10576836 etridiazole 10.41953 10.372666 0.046863467 etridonate 10.0613 10.230565 -0.16926469 etripamil 8.8651199 8.9994974 -0.13437742 etryptamine 8.3894796 8.3574963 0.031983372 eucalyptol 10.41714 10.279334 0.13780595 eugenin 9.2855501 8.8084526 0.47709745 eugenol 9.0429096 8.9074135 0.13549644 eumelanin trimer (DHICA) 8.8242197 8.5561666 0.26805305 euparin 8.6845102 8.7879286 -0.10341869 evacetrapib 8.9455204 9.2418776 -0.29635793 evatenepag 9.2575102 9.0171366 0.24037367 evofosfamide 10.16728 9.8075228 0.35975766 exalamide 9.4141397 9.323617 0.09052334 exatecan 8.92309 9.090785 -0.16769549 EXD 8.3737097 8.3705244 0.0031851938 exemestane 9.8818502 9.9421759 -0.060325734 exifone 9.0802402 8.6650171 0.4152225 exiproben 9.4099998 9.9907827 -0.58078307 ezatiostat 9.2714596 9.1256771 0.14578263 ezogabine 8.2156696 8.0723648 0.14330533 fadolmidine 8.74582 8.6793547 0.066465259 fadrozole 9.2230997 9.4826355 -0.25953534 fagarine 8.3703604 8.4198885 -0.04952864 famotidine 8.6145496 9.1935282 -0.5789786 famoxadone 9.2476902 9.0187187 0.22897124 fampridine 9.10149 9.0708199 0.030670393 fandosentan 9.0859003 9.022625 0.06327536 fantofarone 8.8445196 8.334301 0.51021916 farampator 9.65835 9.0350313 0.62331831 farglitazar 9.0324202 8.8942776 0.13814284 (E,E)-alpha-farnesene 9.1157198 8.956049 0.15967086 beta-farnesene 9.3647099 9.1811438 0.1835659 farnesol 9.3191795 9.2530022 0.066177741 faropenem 9.1545496 9.5684328 -0.41388249 faropenem medoxomil 9.2441597 9.7688332 -0.52467322 fasoracetam 9.5197496 9.5678329 -0.048083004 fasudil 9.5538301 9.3554983 0.19833139 favipiravir 9.8055401 9.8573751 -0.051834948 faxeladol 9.0186005 8.8169022 0.20169744 FC-75 13.92114 13.792276 0.12886316 FD & C Red No. 4 7.9671998 7.9111934 0.056006856 FD&C Yellow #6 8.2384996 8.1687841 0.069715559 L-FDDC 9.2289 9.6067753 -0.37787488 febantel 8.4422598 9.0857363 -0.64347643 febrifugine 8.9195604 9.1967945 -0.27723455 febuprol 9.0549402 9.7315893 -0.67664915 febuxostat 9.3642702 9.1616735 0.20259678 feclemine 8.8152905 8.5410166 0.27427328 fedotozine 9.0088997 8.8157988 0.19310157 felbamate 9.7376003 9.4670362 0.27056348 felbinac 8.9679403 9.1995268 -0.23158686 felinine 9.0949802 8.9439344 0.15104522 felodipine 8.8337803 8.6406546 0.19312552 femoxetine 9.0074902 8.6812897 0.32620043 fenadiazole 9.2441397 9.3417578 -0.097617775 fenalamide 9.0847197 9.152051 -0.067331173 fenalcomine 8.9835396 9.23592 -0.25237948 fenamidone 9.2713604 8.8603582 0.41100132 fenaminstrobin 9.1286898 8.8876982 0.24099226 fenamiphos 8.2064199 8.6455698 -0.43914959 fenarimol 9.5739298 9.4871407 0.086789183 fenasulam 9.3311596 9.0722237 0.25893652 fenazaflor 9.0009403 9.1209307 -0.11999044 fenazaquin 9.2637901 8.9321365 0.33165306 fenbendazole 8.40518 8.837451 -0.43227088 fenbuconazole 9.4762802 9.2032366 0.27304339 fenbutrazate 9.3327103 9.4106951 -0.077985033 fencamfamine 8.9966803 9.1872749 -0.19059528 fenchlorazole 10.00671 9.7555857 0.25112444 fenchlorphos 9.0893002 8.7445574 0.34474298 fenchol 10.58928 10.158365 0.43091503 d-fenchone 10.11994 10.130978 -0.011037886 fenchyl acetate 10.91612 10.660328 0.2557919 N-(S)-fenchyl-1-(2-morpholin8.4341402 8.5552158 -0.12107585 N-(S)-fenchyl-1-(2-morpholin8.3889198 8.5074606 -0.11854058 fencibutirol 9.5179195 10.051083 -0.53316253 fenclozic acid 9.1785002 9.2409315 -0.062431261 fendiline 9.1772203 8.8327169 0.34450284 fendosal 8.23069 8.3111172 -0.080427445 fenethazine 7.91078 7.9085784 0.0022015946 fenethylline 8.9215803 8.9566307 -0.035050672 fenfluramine 9.38696 9.5499907 -0.16303101 fenfluthrin 9.5757799 9.7064695 -0.13068976 fenfuram 8.7467604 8.5975876 0.14917274 fenhexamid 8.5438604 8.6402807 -0.096420504 fenipentol 9.5368605 9.9908018 -0.45394215 fenitropan 10.08159 10.059599 0.021991476 fenitrothion 9.8228998 9.4547949 0.36810464 fenobam 9.17801 8.9432793 0.23473094 fenobucarb (BPMC) 9.5324697 9.2148876 0.31758267 fenoldopam 8.7772799 8.4180193 0.35926065 fenoprofen 9.6427498 8.8038359 0.83891368 fenoprop 9.1025496 9.2448368 -0.14228639 fenoprop-butometyl 9.1206102 8.9932842 0.12732534 fenoprop-butotyl 9.1401196 9.0977192 0.042400777 fenoprop-butyl 9.0651102 9.12391 -0.058800373 fenoprop-isoctyl 9.0999699 9.0286036 0.071366079 fenoprop-methyl 9.0666399 9.2835798 -0.21693954 fenoterol 9.00669 8.9394751 0.067214906 fenothiocarb 9.5345001 8.8294649 0.70503509 fenoverine 8.2244196 8.296814 -0.072394244 fenoxacrim 8.3707705 9.0427065 -0.67193645 fenoxanil 9.1879396 9.095973 0.091967061 fenoxazoline 9.0687304 9.1094646 -0.040734727 fenozolone 9.6490297 9.5146399 0.13439029 fenpiclonil 9.2313204 9.1213636 0.10995653 fenpiprane 9.0155497 8.9786968 0.036852762 fenproporex 9.5783501 9.5158997 0.062450774 fenpyrazamine 8.9448404 9.0488596 -0.10401958 fenquizone 9.52843 9.1816006 0.34682947 fenretinide 8.24224 7.799643 0.44259694 fenson 9.0894899 9.5477457 -0.45825619 fenspiride 9.2440596 9.5117569 -0.2676965 fensulfothion 9.1335297 8.7660561 0.36747357 fenthion 8.5283098 8.6766806 -0.14837052 fentiazac 9.03895 8.943203 0.095746607 fentiazon 8.5643101 8.983223 -0.41891328 fenticonazole 8.6169395 9.3633242 -0.74638438 fentrazamide 9.63972 9.5747747 0.064944863 fentrifanil 9.4239101 9.9334183 -0.50950873 fenuron 9.0976601 8.8809557 0.21670397 fepradinol 9.5146904 9.3110933 0.20359647 feprazone 9.24158 8.8346357 0.40694451 ferimzone 8.79321 8.8290634 -0.035853066 ferulic acid 8.8817797 9.2170954 -0.33531559 fesoterodine 8.9935799 9.2086592 -0.21507961 fevipiprant 8.9644299 9.2724934 -0.30806345 fiboflapon 8.3923197 8.6934175 -0.30109778 filorexant 9.1642704 9.124073 0.040197179 finerenone 8.6960897 8.6429567 0.053133734 fingolimod 9.3629198 9.5560865 -0.19316663 fipexide 9.0540504 9.0212259 0.032824248 fipronil 10.34839 9.8704128 0.47797698 firategrast 9.0097704 9.0103331 -0.00056324777 fisetinidin chloride 8.6730099 8.6730099 2.0072832E-13 fisetinidol 8.9244699 8.7232714 0.20119858 flamprop 9.3309803 9.5055075 -0.17452785 flamprop-isopropyl 9.2572203 9.6464796 -0.38925964 flamprop-methyl 9.3072395 9.5770168 -0.269777 flavan 8.9707603 8.9933605 -0.02260052 flavone 9.3051701 9.2850847 0.020085726 flavopiridol 9.00632 8.9555855 0.050734326 flazasulfuron 9.3382902 9.4577351 -0.11944527 flecainide 9.3706198 9.1998405 0.1707795 fleroxacin 9.0802803 8.9786711 0.10160873 flexirubin 8.0957203 7.9523063 0.14341387 flindokalner 9.2902699 9.2570934 0.033176214 floctafenine 8.9127998 8.6448832 0.26791644 flometoquin 9.1073503 8.7305441 0.37680563 flomoxef 9.7939501 9.5250244 0.26892522 flonicamid 10.32122 10.424433 -0.10321283 floral butanal 9.6089897 9.3104734 0.29851609 floral pyran 9.5578403 9.2142677 0.34357256 floral pyranol 10.44482 10.5393 -0.094479635 florasulam 9.3073997 9.3682146 -0.060814433 florbenazine 8.6697197 8.4537964 0.21592402 florbetaben F18 8.0922003 8.0762854 0.015915075 florbetapir 8.2293396 8.1694984 0.059841935 florfenicol 10.3283 10.3283 1.5912605E-11 flortaucipir F 18 8.9506598 8.7863884 0.16427179 floxacillin 9.5126495 9.3045483 0.20810159 floxuridine 9.7457104 9.805419 -0.059708815 fluacrypyrim 9.8906002 9.4884024 0.40219739 fluazifop 9.4626904 9.363615 0.099074967 fluazifop butyl 9.4493399 9.4373846 0.011954985 fluazifop methyl 9.4730501 9.4377308 0.035319593 fluazifop-P-butyl 9.4282303 9.4373846 -0.0091550155 fluazinam 9.9860497 9.778614 0.20743585 fluazolate 9.2272596 9.9688826 -0.74162215 fluazuron 8.8258896 9.445344 -0.61945432 flubendazole 9.2947302 9.2817841 0.012946011 flubenzimine 9.6469698 9.4710264 0.17594381 flucarbazone 9.5346098 9.7974281 -0.26281765 flucetosulfuron 9.2010098 9.0901661 0.11084368 fluchloralin 10.39075 10.388437 0.0023124905 fluclorolone acetonide 10.51945 10.358521 0.1609287 flucofuron 9.4075499 9.1670647 0.24048492 fluconazole 10.24217 9.8079653 0.43420428 flucytosine 9.4026499 9.5580168 -0.15536681 fludarabine 8.9205799 8.8049889 0.11559117 fludiazepam 9.11586 9.0226011 0.093259193 fludioxonil 9.2811604 9.3993855 -0.1182254 fluenetil 8.9811001 9.2503481 -0.26924846 flufenacet 9.0808096 9.095068 -0.014257593 flufenerim 9.4269505 9.1066675 0.32028264 flufenoxuron 9.4056101 9.1413708 0.26423934 flufenoxystrobin 9.3292103 9.2558861 0.073323861 flufenprox 8.9813204 8.6211386 0.36018124 flufenpyr-ethyl 9.0890398 9.556015 -0.46697515 flufenzine 9.4801903 9.2738457 0.20634386 flumazenil 9.7550001 9.0807238 0.67427653 flumequine 8.81989 9.6013823 -0.78149199 flumetasone 10.27386 10.542074 -0.26821402 flumethasone pivalate 10.29097 10.190354 0.10061518 flumethrin 9.0787201 10.261728 -1.1830082 flumetover 9.6725502 9.144124 0.52842575 flumetralin 9.7334404 10.195184 -0.46174389 flumetsulam 9.54247 9.4906387 0.051831197 flumezin 10.05515 9.7022476 0.35290229 flumorph 9.3291302 8.8201246 0.50900513 flunisolide 10.46452 10.399974 0.064545862 fluocortin 10.47684 10.481738 -0.004898442 fluometuron 9.2453098 9.3187265 -0.073416188 fluoranthene 8.7252398 8.4577408 0.26749966 fluorbenside 8.7461596 8.8890848 -0.14292492 fluorchloridone 9.6285601 9.8893757 -0.26081526 fluorene 8.8415804 8.8155918 0.025987986 9-fluorenemethanol 8.9889498 9.0054407 -0.016490711 fluoren-9-ol 8.9896603 9.0184402 -0.028779989 9-fluorenone 9.2144299 9.1870909 0.027338862 fluorescein 9.1296597 9.419795 -0.29013547 fluorescein sodium 6.63274 6.671917 -0.039176982 fluoresone 10.53023 10.551364 -0.021133944 fluoridamid 9.0294304 9.0964117 -0.066982038 fluorimide 11.32734 10.755483 0.57185763 fluorine gas 14.34728 14.34728 -3.5882408E-13 fluoroacetamide 10.04333 10.27598 -0.23264964 fluoroacetic acid 11.67006 11.024031 0.64602965 fluoroantimonic acid 13.50957 13.50957 -1.1262102E-12 4-fluorobenzamide 9.8550596 9.6567812 0.19827926 fluorobenzene 9.8025599 9.9160967 -0.11353679 2-fluorobenzoic acid 10.16364 10.147038 0.016601592 2-fluorobiphenyl 9.0267897 9.1890306 -0.1622407 4-fluorobiphenyl 9.0127802 9.2358246 -0.22304451 4-fluorobutyrfentanyl 9.1724195 9.3026628 -0.13024305 3-fluorocatechol 9.2069101 9.7146101 -0.50770044 fluorodifen 10.90774 10.595676 0.31206375 fluoroethane 12.06518 12.06518 1.6306956E-12 fluoroform 14.37148 14.37148 3.4461323E-13 1-fluorohexane 11.49109 10.657528 0.83356178 5-fluoro-1-indanone 9.9519701 9.8780937 0.073876709 fluoromide 9.3387203 9.3044338 0.03428591 3-fluoronitrobenzene 10.63771 10.576042 0.06166742 fluoronitrofen 9.9102802 9.8257341 0.084545605 5-fluoroorotate 10.00196 9.9594994 0.042460941 2-fluorophenol 9.35882 9.7886353 -0.42981526 4-fluorophenol 9.2737103 9.4496174 -0.17590715 para-fluorophenylpiperazine 9.2622995 9.1450186 0.11728147 fluorophosphate 11.46777 11.051902 0.41586778 fluorosalan 9.5400105 9.4049091 0.1351005 (6S)-6-fluoroshikimic acid 11.07997 10.918269 0.16170077 p-fluorotoluene 9.5180597 9.7685671 -0.25050682 fluorouracil 9.7519999 9.7755909 -0.023590947 fluothiuron 8.8252897 9.0408335 -0.21554343 fluotrimazole 10.02279 10.022186 0.00060404744 fluoxastrobin 9.5636501 9.6652317 -0.1015817 fluoxetine 9.4366198 9.2518721 0.1847484 fluperlapine 8.9912596 8.7778273 0.21343261 fluperolone acetate 10.26967 10.042768 0.22690126 flupoxam 9.5552702 9.1633787 0.3918913 fluprednidene acetate 10.20423 9.9994736 0.2047569 fluprednisolone 10.37169 10.508842 -0.13715273 flupropacil 9.6293001 9.6779671 -0.048667099 flupropanate 12.31899 11.548508 0.7704826 fluproquazone 9.0256004 8.8666372 0.15896265 flupyradifurone 9.7068796 9.4278593 0.27902055 flupyrsulfuron 9.3657703 9.5270948 -0.16132511 flupyrsulfuron-methyl 9.2917404 9.5785675 -0.28682724 fluquinconazole 9.3943996 9.5846176 -0.1902172 fluralaner 9.7112904 9.8274679 -0.11617819 flurazepam 9.1258097 8.9994097 0.12640056 flurazole 9.6972198 9.4849949 0.2122248 flurenol-butyl 9.04667 9.101614 -0.054944471 fluridone 8.6864004 8.5197334 0.1666666 flurochloridone 9.2901001 9.8893757 -0.59927529 fluromidine 9.6030703 9.4409399 0.16213013 flurothyl 12.17664 11.484548 0.69209278 fluroxene 10.05042 10.700434 -0.65001416 fluroxypyr 9.3486404 9.2819166 0.066723801 fluroxypyr-butometyl 9.2909498 9.0052862 0.28566402 fluroxypyr-meptyl 9.2734098 9.0740509 0.19935934 flurpiridaz 8.9372597 9.0894032 -0.1521436 flurprimidol 10.0491 9.71136 0.33773968 flursulamid 11.05944 11.218463 -0.1590227 flurtamone 8.8316298 9.2742796 -0.44264942 flusilazole 9.5392599 9.6156588 -0.076398961 flusulfamide 9.6894798 10.330218 -0.64073801 flutamide 9.8076401 10.08415 -0.27651024 fluthiacet 8.8730803 8.9826813 -0.10960086 fluthiacet-methyl 8.87784 9.0938206 -0.21598078 fluticasone furoate 9.9656897 9.8486176 0.11707257 flutolanil 8.6860704 9.2520676 -0.56599754 flutriafol 9.9106598 9.8955088 0.01515166 fluvoxamine 9.7083502 9.4757986 0.23255157 FMC 25213 9.3126402 9.8054018 -0.49276164 FMC-4921 9.6077604 9.4895916 0.11816863 folcysteine 9.4470396 9.6268263 -0.17978632 folinic acid 8.7269497 8.493536 0.23341395 folpet 9.8029099 9.9657145 -0.16280456 fomesafen 10.19532 10.037448 0.15787204 fominoben 8.78339 8.9333963 -0.15000628 fonofos 8.9682903 8.983799 -0.015508573 foramsulfuron 9.1188898 9.1161442 0.0027453967 forchlorfenuron 9.20368 8.7744341 0.42924616 formamide 10.15679 10.221831 -0.06504146 formestane 10.16109 9.8450327 0.31605753 formetanate HCl 8.6674404 8.7666903 -0.099250495 formic acid 11.29506 10.962856 0.33220369 forminitrazole 10.02751 9.4466686 0.58084106 formononetin 9.0489597 8.937417 0.11154259 formoterol 8.62148 8.6201735 0.0013063124 formothion 9.4825697 9.3077517 0.17481868 formparanate 8.4825897 8.5824871 -0.099896789 N-formylloline 9.5388298 9.5006256 0.038204499 N-Formyl methionine 9.0792503 9.2027435 -0.12349305 N-Formyl-N-hydroxyaminoaceti10.45838 10.577291 -0.11891064 g-Formyl-N-methylnorvaline 9.67418 9.6823263 -0.0081466176 3-formylpyridine 10.37947 10.187343 0.19212733 4-formylpyridine 10.37925 10.187343 0.19190733 formylsuccinanilic acid thio8.6516104 8.755578 -0.10396814 N-formylsulfisomidine 9.0152102 9.1046066 -0.089396901 forodesine 9.0580397 8.6512814 0.40675831 fosamine ammonium 8.9016895 8.9016895 2.5774938E-12 fosaprepitant 9.47295 9.3094616 0.16348882 fosbretabulin disodium 6.9359002 6.9359002 3.552989E-10 fosdevirine 8.9427795 8.7653198 0.17746021 fosetyl aluminum 10.02584 9.524888 0.50095159 fosfestrol 8.6724501 8.766304 -0.093853995 fosfomycin tromethamine 9.2531404 9.2531404 5.5830895E-12 fosfosal 9.3589497 9.7487278 -0.38977751 fosfoxacin 10.0581 10.374451 -0.3163504 fosinopril 9.4595604 9.384429 0.075131066 fosmethilan 9.3749304 9.2459517 0.12897862 fosmidomycin -5.8632798 -5.8632798 -1.5116797E-12 fosnetupipant 9.2605104 9.2605104 -2.2222189E-09 fosphenytoin 9.8303604 9.4519939 0.37836608 fospirate 9.0991898 9.0170336 0.08215683 fospropofol disodium 7.3713298 7.3713298 -9.1672892E-10 fostamatinib disodium 7.5167198 7.5167198 -1.5039525E-10 fostemsavir 8.9575796 9.0572653 -0.099685721 fosthiazate 9.5818701 9.655858 -0.073988102 fosthietan 9.4568501 9.4740162 -0.017166054 fotemustine 9.9663296 9.8565359 0.10979447 FPMPA 12.4879 12.4879 5.196199E-11 frontalin 10.63568 10.246951 0.3887288 frovatriptan 8.3710003 8.2292233 0.14177674 fructone 10.7799 10.767171 0.012728827 D-fructose 10.94214 10.710435 0.2317047 D-fructose-1,6-diphosphate -11.50747 -11.461121 -0.046349615 D-fructose-6-phosphate -6.93536 -6.771441 -0.16391887 fthalide (phthalide) 9.5891705 9.6648169 -0.075646468 fuberidazole 8.6760397 8.5696888 0.10635146 fucose 10.78155 10.741769 0.039780885 fudosteine 9.3061199 9.1209517 0.18516861 fumaric acid 11.5199 10.848477 0.67142302 N-Fumarylalanine 10.05892 10.162914 -0.10399401 Fumigatin 9.4265699 9.4360428 -0.0094727054 funapide 8.88241 8.4477482 0.43466204 furalaxyl 9.5104704 9.1177874 0.39268312 furaltadone 9.8171701 9.47297 0.34420043 furametpyr 8.8326998 8.7208309 0.11186908 furan 9.3797398 9.2600842 0.11965577 furandicarboxylic acid 10.27046 10.40396 -0.13349992 furandicarboxylic methyl est10.11361 10.14258 -0.028969575 furaneol 9.1803198 9.6842737 -0.50395387 furanomycin 9.6857996 9.6824427 0.0033569853 2(5H)-furanone 10.82372 10.336139 0.48758093 furan tebufenozide 9.1929398 9.2741032 -0.081163414 furanylfentanyl 9.08395 9.0363922 0.047557674 furan-2-ylmethanethiol 9.1112204 8.9815521 0.12966782 furazabol 10.97511 10.295129 0.67998117 furazolidone 9.58008 9.867259 -0.28717873 furazolium chloride 8.9795399 9.0622272 -0.082686931 furfural 9.7132998 9.6019545 0.11134524 furfuryl alcohol 9.0917196 9.5924253 -0.50070488 furfurylamine 9.0677299 9.0167885 0.050941385 5-furfuryl-5-isopropylbarbit9.5659504 10.01952 -0.45356986 furfurylmethylamphetamine 9.0834103 8.6998825 0.38352776 1-(2-Furfurylthio)-2-propano9.0209999 8.9314556 0.089544259 furilazole 9.5329304 9.4380894 0.094840415 furmecyclox 9.0819101 9.3405418 -0.25863215 2-furoic acid 9.8608398 9.8688164 -0.0079765841 3-furoic acid 9.8496799 9.8814001 -0.031720355 furonazide 8.7265902 9.2636929 -0.53710282 2-furonitrile 9.7987804 9.7580271 0.040752552 furophanate 8.7515402 8.7062483 0.04529164 furosemide 9.4964199 9.2010822 0.29533762 furosine 9.3631296 9.3631296 -5.9884542E-11 N-(2-furoyl)glycine 9.7774 9.5040035 0.27339634 3-(2-furyl)acrylic acid 9.4682398 9.5761528 -0.10791279 furyloxyfen 10.02155 9.728632 0.292918 fusafungine 9.27353 9.1661816 0.10734828 fusaric acid 10.25342 9.9586782 0.29474145 fuscin 9.4112196 9.4507647 -0.039545089 gabapentin 9.5391197 9.7741432 -0.23502311 gaboxadol 9.5889902 9.1983318 0.39065772 D-galactal 9.7648697 9.94174 -0.17687026 galactaric acid 11.11983 11.724569 -0.60473895 beta-D-galactose 10.94233 10.853756 0.088573731 galanthamine 8.8042097 8.7205019 0.083707958 galaxolide 9.1589699 9.3639069 -0.20493676 galeterone 8.5528898 8.7737989 -0.22090858 gallic acid 9.3226004 9.3952112 -0.072611041 gallium maltolate 8.4330702 8.7240114 -0.29094121 gallium nitrate 13.50286 13.50286 -1.1368684E-13 Galoxolide 9.1555901 9.3639069 -0.20831676 galunisertib 9.1302404 8.7109137 0.41932595 ganciclovir 8.6302204 8.5935478 0.03667216 gandotinib 8.6912203 8.6912203 7.7410078E-11 ganoderic acid alpha 10.4527 10.272308 0.18039151 gardenia amide 8.7587996 9.3413401 -0.58253998 gardenol 9.7259302 9.772975 -0.04704532 garenoxacin 8.8488903 8.7114735 0.13741651 gedatolisib 8.80972 8.5343513 0.27536869 gefapixant 8.9394703 9.1219845 -0.18251406 gefarnate 9.4157495 9.2736998 0.1420507 gemcabene 10.63015 10.52338 0.1067693 gemcitabine elaidate 9.4368696 9.4578161 -0.020946495 gemeprost 10.1821 9.8410425 0.34105775 gemifloxacin 8.7579098 8.7956371 -0.037727293 genaconazole 10.00552 9.9911814 0.014338469 genfibrozil 8.8886003 9.3827248 -0.49412504 genipic acid 9.6830101 9.9765711 -0.29356089 genipin 9.8352604 9.8374224 -0.0021628377 genistein 8.9515305 9.0107822 -0.059252471 genistin 9.11588 9.1629467 -0.047066424 genite 9.0444298 9.4909964 -0.44656593 gentisic acid 8.9713402 9.3208418 -0.34950182 geosmin 10.53605 10.303897 0.23215294 gepotidacin 8.8344803 8.9832668 -0.14878638 geranic oxide 10.15841 9.9987469 0.15966319 geraniol 9.3929796 9.3854055 0.0075746705 geranium dihydropyran 9.5910597 9.7480307 -0.15697077 geranyl acetate 9.47118 9.6450777 -0.17389785 geranyl acetone 9.4295998 9.4527349 -0.023135111 geranyl pyrophosphate 9.4070597 9.5036707 -0.096611015 germabenzene 9.1436501 9.7497387 -0.606089 germacrene A 9.1884804 9.026825 0.16165531 germacrene D 9.3523102 9.1452236 0.20708594 Germall II biocide 10.1329 9.9552908 0.17760947 germane 12.3228 12.3228 -1.0818013E-12 germanium 10.67128 10.680976 -0.0096959453 germanium diselenide 9.5334101 9.9916067 -0.45819637 germanium tetrachloride 11.30223 11.15253 0.14970042 germanium tetrafluoride 15.54347 15.54347 -2.9434233E-12 gibberellic acid 10.34375 10.049364 0.29438627 gigartinine 9.1178904 8.617178 0.50071216 gilbornuride 9.4592104 9.486516 -0.027306469 gilteritinib 8.1141005 8.3730917 -0.25899211 gingerol 8.9131098 9.4551525 -0.54204261 gisadenafil 8.7665997 8.6915331 0.075067252 Givgard BNS 10.09883 9.7511492 0.34768045 glabridin 8.5616302 8.9437876 -0.38215736 glesatinib 8.9814301 9.1824713 -0.20104097 glibornuride 9.7509699 9.5702581 0.18071193 gliclazide 9.3356705 9.5787115 -0.24304196 gliotoxin 9.3193302 9.2812834 0.038047019 gliquidone 9.6538296 9.2121458 0.44168413 glisoxepid 9.6982498 9.278883 0.41936719 glucobrassican 6.0728798 6.0221925 0.050687391 gluconic acid 10.68896 11.282228 -0.59326893 gluconolactone 11.20076 11.066967 0.13379306 glucoraphanin 9.4527798 9.7299747 -0.27719507 glucosamine 10.05486 10.227477 -0.17261715 alpha-D-glucose 10.89934 10.853756 0.045583729 beta-D-glucose 10.69237 10.853756 -0.16138627 L-glucose 10.68613 10.853756 -0.16762628 alpha-glucose-1-phosphate 10.73054 10.499561 0.23097849 D-glucose-6-phosphate -6.2930198 -6.6281199 0.33510017 N-beta-D-glucosylsulfanilami9.3171797 9.4648466 -0.14766628 beta-D-glucouronic acid 11.02649 10.934208 0.092282206 glucuronic acid 10.88092 10.934208 -0.053287793 glufosinate ammonium 8.5748301 8.4079752 0.1668552 glutamate 4.2584 4.473361 -0.2149611 glutamic acid 10.12409 9.9736347 0.15045524 glutamine 9.9630604 9.7122927 0.25076717 g-Glutaminyl-3.4-benzoquinon10.02184 9.677269 0.34457079 g-Glutaminyl-4-hydroxybenzen9.1815701 9.2276764 -0.04610686 g-Glutamyl-2-amino-4-methyl-9.7684803 9.6555176 0.11296217 B-N-(g-glutamyl)-aminopropio4.4188399 4.9774904 -0.5586502 (S,S)-gamma-glutamyl-(S-1-pr9.1580696 9.5192862 -0.36121583 glutaraldehyde 10.74321 10.461884 0.28132576 glutaric acid 11.46597 10.880313 0.5856567 N-(2-Glutaryl)-lysine 9.8865204 9.7104692 0.17605065 glutathione 9.3924103 9.2990227 0.093387105 glutethimide 9.8146 9.8040733 0.010526372 glycamide 9.5449495 9.2310867 0.31386372 glycarsamide 9.3257599 9.4189882 -0.093227893 glyceollin I 8.8730602 8.9163094 -0.043249108 glyceollin III 9.02631 8.7315083 0.29480198 glyceraldehyde 10.64149 10.659835 -0.018345123 D-glyceraldehyde 3-phosphate-6.61796 -6.5432773 -0.074682914 glyceric acid 11.28779 10.9427 0.34508958 glycerol 10.96475 10.476577 0.48817354 glyceryl caprylate 11.14021 10.732145 0.40806475 glyceryl dilaurate 11.13558 10.889009 0.24657033 glyceryl hydroxystearate 11.05981 11.178219 -0.11840849 glyceryl laurate 11.06797 10.694805 0.3731648 glyceryl triundecanoate 11.07767 10.875876 0.2017936 glycidol 11.09768 10.649082 0.44859767 gamma-glycidoxypropyltrimeth9.6883497 9.6276627 0.060687784 glycine 9.9125004 10.285392 -0.37289149 glycine betaine 15.77966 14.860242 0.91941857 glycitein 9.1026201 8.8710651 0.23155457 glycoacetal 9.3282404 9.6672401 -0.33900055 glycoaldehyde 10.70843 10.752349 -0.04391931 glycobiarsol 9.1210403 8.6954746 0.42556494 glycocyamine 9.3674603 9.5874538 -0.21999407 glycolic acid 11.32207 11.043217 0.27885368 glyconiazide 10.10658 10.121736 -0.015155447 glycopyramide 9.4035301 9.5222187 -0.11868863 glycylglycine 9.9349804 9.8442659 0.090713635 glycyl-L-glutamic acid 12.51533 12.328096 0.18723395 glycyl-L-leucine 9.8413496 10.20594 -0.3645905 glycyl-L-tyrosine 9.2252703 9.0960331 0.1292365 glyoxal 10.56715 10.750665 -0.1835146 glyoxime 10.08772 9.971097 0.11662275 glyoxylic acid 11.32001 11.043217 0.27679366 glyphosate 9.6757002 10.08466 -0.40895948 glyphosine 9.5830097 9.6935863 -0.11057623 golotimod 8.4298601 8.9623566 -0.53249621 golvantinib 8.8455095 8.5339327 0.3115775 gosogliptin 8.7266197 9.1874571 -0.46083677 gossyplure 9.7520199 10.13573 -0.38371012 grandlure-component 1 10.16092 9.9727831 0.18813691 grandlure-component 2 9.45574 9.8508368 -0.39509663 grandisol 9.6728096 9.6848383 -0.012028744 granisetron 8.80336 8.6769123 0.1264475 grapefruit acetal 9.4066496 9.6410646 -0.23441449 grapefruit mercaptan 9.1962204 8.9092064 0.2870138 grapefruit pentanol 9.5585499 9.364994 0.19355579 grapiprant 8.7518902 8.9067583 -0.15486789 grepafloxacin 8.8251696 8.6180267 0.20714319 Grisalva 10.19308 10.304106 -0.11102559 griseofulvin 9.1413803 8.8468904 0.29448935 Grotan HD2 biocide 9.6326303 9.4870424 0.14558801 guaiacol 8.7749701 9.1098537 -0.33488417 alpha-guaiene 9.0692501 9.3655052 -0.29625565 delta-guaiene 9.0897398 9.3984785 -0.30873814 guaifenesin 8.8850298 9.2628593 -0.37782931 guaiol 9.0531502 9.5787268 -0.52557713 guaiyl acetate 8.7881498 8.9891281 -0.20097789 guanabenz 9.1840401 9.1917095 -0.0076691587 guanacastepene A 9.8641701 9.545064 0.31910601 guanacline 8.8874702 8.8616533 0.025816813 guanadrel 9.3972902 9.1463346 0.25095513 guanazodine 9.0038795 8.5263653 0.47751454 guanethidine 8.8591995 8.5554829 0.30371732 guanfacine 9.47404 9.3201027 0.15393718 Guanidine-1-pyrroline-5-carb9.1018496 8.9659281 0.13592191 guanidinohydantoin 9.6975098 9.901329 -0.20381883 B-Guanido-g-hydroxyvaline 9.4503403 9.4663467 -0.016007075 guanidotaurine 9.4899502 9.586894 -0.096943669 guanine 8.82728 8.871067 -0.043786976 guanosine monophosphate 5.9661102 6.3661208 -0.40001103 gulonic acid 10.94298 11.282228 -0.33924893 gulonolactone 10.70862 11.012341 -0.30372104 L-gulose 10.683 10.853756 -0.17075627 Guvacine 9.3710003 9.6937523 -0.32275218 gyromitrin 9.2151499 9.5695181 -0.35436851 hadacidin 10.28607 10.577291 -0.29122064 haemanthamine 9.0348196 8.9449949 0.089824878 halazepam 9.4918404 9.3403883 0.15145133 halethazole 8.9196596 8.8240528 0.095607325 halicrinate 9.0962896 9.363553 -0.2672627 halofenozide 9.7155704 9.6093674 0.10620231 halopropane 11.42208 11.169764 0.25231627 halosafen 10.33092 10.514528 -0.18360795 halosulfuron methyl 9.24436 9.3492327 -0.10487314 halothane 11.03896 11.241119 -0.20215903 haloxydine 9.7836905 10.355388 -0.57169801 haloxyfop methyl 9.03965 9.2407484 -0.20109868 hancinol 8.8425503 9.2466993 -0.40414906 haplophytine 8.1945601 8.3114405 -0.11688089 harmalan 8.4004002 8.4361906 -0.035790384 harmaline 8.33564 8.2330894 0.1025508 harmalol 8.3850698 8.1131763 0.27189332 harmine 8.6468 8.1457539 0.50104606 harzianopyridone 9.1982498 9.0512438 0.14700626 hasubanan 9.1572104 9.2350426 -0.077833042 HCH 10.8006 10.361904 0.4386963 HC Orange no. 1 8.7166204 8.739686 -0.023065984 HC Red #3 8.5588398 8.7147694 -0.15592892 HC Red no. 1 8.4209604 8.446928 -0.025968373 HC Yellow No. 2 9.0605497 9.4842367 -0.4236863 heliotrine 9.23948 9.6170635 -0.37758383 hemel 8.8299103 8.6978197 0.13209008 hempa 9.0578899 8.8844461 0.1734436 hentriacontane 11.26309 11.465573 -0.20248339 phenylmercury acetate 9.3293695 9.9391356 -0.60976595 heparin monomer 10.27486 10.64241 -0.36754987 HEPT 9.3319302 9.0103426 0.32158771 heptabarbital 9.3526497 9.9839268 -0.63127714 heptachlor 9.3966599 9.2144251 0.18223532 heptachlor epoxide 9.4810896 9.575242 -0.094152115 2-(8-heptadecenyl)-4,5-dihyd9.11376 9.074544 0.039216116 1,3-heptadiene 9.1434698 9.5614624 -0.41799268 1-(2,2,3,3,4,4,4-heptafluoro9.0647602 9.4078846 -0.3431249 1,1,1,2,3,3,3-heptafluoropro14.35022 14.527749 -0.17752913 heptafluthrin 9.8262396 9.590703 0.2355369 heptakis(dipropyleneglycol) 8.9295702 9.056736 -0.12716584 2,2,4,4,6,8,8-Heptamethylnon10.99583 10.845818 0.15001243 1,1,1,3,3,5,5-heptamethyltri8.9123697 8.938612 -0.026242208 n-heptane 11.27171 10.857792 0.41391784 heptanoic acid 11.35983 10.851024 0.50880659 1-heptanol 10.89119 10.545479 0.34571102 2-heptanol 11.04837 10.571238 0.47713283 3-heptanol 10.93844 10.879598 0.058841873 4-heptanol 10.94384 10.949121 -0.0052802349 2-heptanone 10.67833 10.540606 0.13772424 heptenophos 8.5603399 8.7960539 -0.23571394 n-heptylamine 9.3989296 9.7206898 -0.32175997 heptyl 4-aminobenzoate 8.9045 9.1805582 -0.27605811 2-heptylcyclopentanone 10.39214 10.626758 -0.23461765 5-heptyldihydro-2(3H)-furano11.10158 10.81779 0.28378966 herbal acetal 10.71101 10.582827 0.12818338 Herbate 9.9775896 9.7609377 0.2166523 hercynine 9.0215302 8.8202925 0.20123753 hernandulcin 9.4748802 9.6114998 -0.13662016 hesperetin 9.0246601 8.9416695 0.08299055 hexabromobenzene 10.03656 10.42417 -0.38761052 2,2',4,4',6,6'-hexabromobiph9.7243204 10.09126 -0.36693987 1,2,5,6,9,10-hexabromocyclod10.1597 10.348699 -0.18899845 hexachloroacetone 10.60384 10.898805 -0.29496461 hexachlorobenzene 9.3070898 9.157341 0.14974855 2,2',4,4',6,6'-hexachlorobip9.5646801 9.1066656 0.45801401 hexachlorophene 8.8275099 9.0753946 -0.24788485 hexaconazole 9.6703901 9.7141352 -0.04374522 hexacyclonate sodium 8.9250097 8.6242695 0.30074051 delta-hexadecalactone 10.79814 10.867781 -0.069640867 hexadecane 11.2653 10.871761 0.39353889 1,3-hexadiene 9.14464 9.381341 -0.23670077 hexaflumuron 9.5646496 9.2557249 0.30892554 1,1,1,4,4,4-hexafluoro-2-but12.60741 12.221193 0.38621679 1,1,1,3,3,3-hexafluoro-2-pro12.9252 12.9252 -2.7249314E-12 hexaflurate 12.69859 12.69859 -3.5207393E-12 3a,4,5,6,7,7a-hexahydro-4,7-9.7667999 9.9499435 -0.18314371 3a,4,5,6,7,7a-hexahydro-4,7-9.5358295 9.8228197 -0.28699008 3a,4,5,6,7,7a-hexahydro-4,7-9.5628204 9.8228197 -0.26000005 3a,4,5,6,7,7a-hexahydro-4,7-9.3920097 9.9423351 -0.55032527 4,4a,6,7,8,8a-hexahydro-1,4-9.8720303 9.8401318 0.031897809 3a,4,5,6,7,7a-hexahydro-2,6(9.4091702 9.3259563 0.083213419 1,3,4,6,7,8a-hexahydro-1,1,510.21811 10.296091 -0.07798095 hexalure 9.72332 10.460674 -0.73735416 hexamethylcyclotrisiloxane 8.5193796 8.9600964 -0.44071603 hexamethyldisilazane 8.3826599 8.6868181 -0.30415803 hexamethylphosphoramide 8.7970304 8.8844461 -0.087416403 hexamide 9.2989302 9.4721947 -0.17326465 hexanal 10.62774 10.649811 -0.022070657 1,2-hexanediol 10.95834 10.652178 0.30616209 n-hexane 11.2742 10.887188 0.38701236 hexanoamide 9.73594 10.03423 -0.29829013 1-hexanol 10.88978 10.571328 0.31845194 2-hexanol 11.0528 10.592845 0.4599548 3-hexanol 10.93696 10.896965 0.039994907 2-hexanone 10.67769 10.565804 0.11188554 hexazine 11.81984 11.527921 0.29191902 hexazinone 9.8973103 9.8388071 0.058502939 cis-3-hexenal 10.00152 9.8563929 0.14512725 1-hexene 10.03495 10.306944 -0.27199438 2-hexene 9.6031504 10.222939 -0.61978817 3-hexene 9.5609503 9.6781445 -0.11719453 cis-hex-3-en-1-ol 9.68435 9.7669172 -0.082566857 3-cis-hexenylacetate 9.7219801 9.7294178 -0.0074377684 3-trans-hexenylacetate 9.8015099 9.7294178 0.072092235 hex-3-enyl 2-methylbutyrate 9.8425598 10.059746 -0.21718559 cis-3-hexen-1-yl methyl carb10.06525 10.224453 -0.15920275 3-hexenyl salicylate 9.31213 9.4037542 -0.091623776 hexestrol 8.92309 8.8133106 0.10977938 hexethal sodium 8.7087097 8.67027 0.038440034 hexobarbital 9.6786604 9.3146276 0.36403257 hexyl acetate 11.25388 10.79055 0.4633297 2-hexyl-4-acetoxytetrahydrof10.55846 10.674656 -0.11619619 n-hexylamine 9.3123302 9.7445154 -0.43218589 hexyl 4-aminobenzoate 8.9159803 9.1734629 -0.25748295 hexyl cinnamaldehyde 9.4149904 9.6093349 -0.19434464 hexylene glycol 10.48416 10.68348 -0.1993199 hexyl formate 11.15663 10.819059 0.33757025 2-[Hexyl(2-hydroxyethyl)amin9.2629004 9.4407282 -0.17782851 1-hexyl-3-methyl-2-thiourea 8.5597801 8.9000692 -0.34028894 4-hexylmorpholine 9.2154903 9.8831596 -0.66766965 hexyl nitrate 11.70074 11.759599 -0.058858763 N-hexyl-1,3-propanediamine 9.19238 9.1317043 0.060675528 hexyl salicylate 9.30937 9.6556931 -0.34632325 hexylthiofos 9.4410601 9.6200838 -0.17902341 hexyltrimethoxysilane 9.6262598 9.8957815 -0.26952106 hispidin 8.8335505 9.1511002 -0.31755012 histamine 9.1779604 9.0405426 0.13741706 histidine 9.39814 9.4697332 -0.071593463 Histidine betaine 9.0215302 8.8202925 0.20123753 4-chloro-3,5-dimethylphenyl 9.1964102 9.2989559 -0.10254565 holosulf 9.9810801 10.295422 -0.31434116 homarine 15.59808 15.61749 -0.019409999 homoarginine 9.2582798 9.2197199 0.038560394 homobetaine 14.86969 14.671103 0.19858773 homocamfin 10.10217 9.8975258 0.20464425 homocitrulline 9.4068804 9.4079018 -0.0010217828 homocysteic acid 10.1429 9.9916811 0.15121858 homocysteine 9.3223305 9.292161 0.03016899 homocysteinecysteine disulfi9.68433 9.5496397 0.13469015 homocystine 9.5131397 9.5010633 0.012076925 homogeranyl nitrile 9.6923103 9.6162853 0.076025091 homoisoleucine 9.9273901 9.9508953 -0.023505563 homolanthionine 8.8856201 9.3470697 -0.46144992 homomethionine 8.9441299 8.8137512 0.13037874 homophenylalanine 9.6381197 9.213007 0.42511299 homosalate 9.28339 9.077774 0.20561622 homoserine 9.8696203 9.7914 0.078220367 homostachydrine 16.435789 15.713964 0.72182643 D-hopantenic acid 9.5339899 9.8175116 -0.28352189 hordenine 9.0025196 8.7304726 0.27204737 horminone 9.4819698 9.7138758 -0.23190555 HPMPA 8.86551 8.846344 0.01916559 HTFSI 12.43905 11.56887 0.87018067 HU-210 8.8823605 8.770155 0.11220473 humulene 9.2628698 9.1602335 0.10263627 humulone 9.1554003 8.7564592 0.3989408 HW 863 10.17712 10.030055 0.14706519 hycanthone 8.71208 8.1220274 0.59005255 hydantocidin 10.17463 10.442709 -0.26807889 hydantoin 10.19308 10.331836 -0.13875552 hydnocarpic acid 9.6381798 10.073815 -0.43563572 hydrastine 8.7951803 9.0458946 -0.25071499 hydrazine 9.03514 8.9710274 0.064112835 hydrazine hydrochloride (1:19.0692396 9.1333532 -0.064112835 2-hydrazinoethanol 8.9900999 9.5655146 -0.57541472 hydrobenzoin 9.5460396 9.4734173 0.072622865 hydrochloric acid 11.06099 10.800239 0.26075149 hydrochlorothiazide 10.03268 9.766407 0.2662726 hydrocinnamic acid, 3,5-di-t8.8914404 8.8841753 0.0072643594 hydrocinnamonitrile 9.7464895 9.9763422 -0.22985224 hydrocodone 9.0615501 9.1132545 -0.051704217 hydrocortisone buteprate 10.15306 9.9539471 0.19911298 hydrocortisone 17-butyrate 10.13321 10.029115 0.10409509 hydrofluoric acid 9.4412298 12.806255 -3.365025 hydrogen fluoride 16.17128 12.806255 3.365025 hydrogen peroxide 11.60965 11.300214 0.30943644 hydrogen selenide 9.7647896 10.341787 -0.57699782 hydrogen sulfide 9.6286802 10.119169 -0.49048921 hydromorphine 8.8258305 9.0383768 -0.21254653 D-hydroorotic acid 10.41656 10.289056 0.12750453 hydroprene 9.4206104 9.6690531 -0.24844265 hydroquinone 8.7537498 8.8741913 -0.12044153 hydrotropic aldehyde dimethy9.5583601 9.609972 -0.051612079 a-Hydroxyalanine 9.8514099 9.8383503 0.01306 1-Hydroxy-2-aminoethylphosph9.4299297 10.074876 -0.64494622 g-Hydroxyarginine 9.3382597 9.4528046 -0.11454482 N-Hydroxyarginine 8.9062099 9.328084 -0.42187408 B-Hydroxyasparagine 10.08422 10.097708 -0.013487857 B-Hydroxyaspartic acid 12.64313 12.80444 -0.16130926 S-(B-Hydroxy-B-carboxyethane9.2671299 9.1355915 0.13153888 N-hydroxybenzamide 9.9555302 9.7415867 0.21394309 4-hydroxybenzoic acid 9.5899897 9.5400352 0.049955074 4-hydroxybenzonitrile 9.5529699 9.4426165 0.11035352 B-6-(4-Hydroxybenzothiazolyl8.9284096 8.9992447 -0.07083454 5-Hydroxy-2-benzyl-1,3-dioxa9.4778996 9.8561764 -0.37827629 2-hydroxybiphenyl 8.6894398 8.8203278 -0.13088742 3-hydroxybutanal 10.50042 10.426208 0.074211307 4-hydroxybutanal 10.6825 10.413869 0.26863089 g-hydroxybutyrate 11.12553 10.631085 0.49444464 3-hydroxycamphor 10.216 10.439703 -0.22370338 S-(2-Hydroxy-2-carboxyethyl)9.1608496 9.5759687 -0.41511843 S-(2-Hydroxy-2-carboxyethylt9.6079798 9.7471571 -0.13917674 S-(3-Hydroxy-3-carboxy-n-pro9.0833597 9.5759687 -0.49260843 S-(3-Hydroxy-3-carboxy-n-pro9.5971498 9.6704512 -0.073301546 S-(3-Hydroxy-3-carboxy-n-pro9.5552397 9.627037 -0.071796902 hydroxycitronellal 10.5849 10.385583 0.19931732 (1-hydroxycyclohexyl)phenylm10.17953 10.095098 0.084432028 a-Hydroxycysteinecysteine di9.8628902 9.7380171 0.12487338 1-Hydroxydecan-3-one 10.7087 10.561081 0.14761882 4-hydroxy-diethyl-tryptamine8.09618 8.0901833 0.005997133 hydroxydihydrocitronellol 10.85037 10.321463 0.52890718 4-Hydroxy-di-isopropyl-trypt8.0611095 8.1313553 -0.070244819 a-Hydroxy-e-aminocaproic aci9.6367598 10.023562 -0.38680229 p-hydroxyephedrine 9.0228395 8.8440542 0.17878611 1-hydroxyethyl 19.132351 19.132351 2.5544011E-12 N-(2-Hydroxyethyl)-alanine 9.5576696 9.9227858 -0.36511612 N-(2-Hydroxyethyl)-asparagin9.6614304 9.7989388 -0.13750874 N-(2-Hydroxyethyl)-glutamine9.7738304 9.7179785 0.055851538 2-hydroxyethyl methacrylate 10.57752 10.294321 0.28319925 2-hydroxyethyl octyl sulfide8.9363899 9.7143707 -0.77798074 hydroxyethyl urea 9.6237202 9.7137308 -0.09001065 beta-hydroxyfentanyl 8.9692001 9.0907078 -0.12150734 a-Hydroxy-g-aminobutyric aci9.7782097 10.131124 -0.35291493 B-Hydroxy-g-aminobutyric aci9.8140297 10.140823 -0.32679334 2-hydroxyglutamic acid 9.8663797 10.153409 -0.28702867 3-hydroxyglutamic acid 4.9496102 4.6964369 0.25317308 g-Hydroxyglutamine 9.8660898 9.8868885 -0.020798335 B-Hydroxyhistidine 9.6846199 9.6249342 0.059685744 g-Hydroxyhomoarginine 9.3984404 9.3712854 0.027154608 4-Hydroxy-3-hydroxymethylphe9.0752096 9.0829515 -0.0077418764 4-Hydroxyisoleucine 9.7382097 9.6819592 0.056250408 hydroxyisophthalic acid 9.7796297 9.9731073 -0.19347732 3-Hydroxykynurenine 8.5616903 8.6813412 -0.11965097 epsilon-Hydroxylaminonorleuc9.7604599 9.6058779 0.15458238 hydroxylammonium nitrate 10.86568 10.86568 1.9895197E-13 Beta-Hydroxyleucine 9.7385998 10.051521 -0.31292155 delta-Hydroxyleucine 10.04849 9.6819592 0.36653042 5-hydroxylysine 9.5753498 9.582777 -0.0074270586 5-hydroxymaltol 9.1584196 8.6780319 0.48038849 6-Hydroxymethylacylfulvene 8.9361401 8.9140615 0.022078827 N-(2-Hydroxymethylbutadienyl5.05337 4.9675813 0.085788779 5-(hydroxymethyl)furfural 9.4061098 9.8693075 -0.46319726 3-Hydroxy-3-methyl-2,4-nonan10.50641 10.696866 -0.19045618 3-(Hydroxymethyl)nonan-2-one10.47484 10.432118 0.042721324 3-(4-Hydroxy-4-methylpentyl)9.9455404 10.024393 -0.078852788 4-Hydroxy-4-methylproline 9.6613398 9.8238831 -0.16254351 Hydroxyminaline 8.9682598 9.8044138 -0.83615381 4-hydroxy-N-methyl-N-isoprop8.0779696 8.0901833 -0.012212867 4-Hydroxy-N-methylproline 9.4232302 9.804884 -0.38165364 4-hydroxy nonenal 10.59171 10.45578 0.13592963 beta-Hydroxynorvaline 9.7851 10.16668 -0.38158056 gamma-Hydroxynorvaline 9.5784397 9.7785549 -0.20011446 gamma-Hydroxyornithine 9.45895 9.6578722 -0.19892187 hydroxyphenamate 9.78374 9.5242519 0.25948817 1-hydroxyphenazine 8.6718197 8.6726198 -0.00079939014 2-hydroxyphenazine 8.7844896 8.652297 0.1321927 3-hydroxyphenylglycine 9.35221 9.3403015 0.011908699 D-(4-hydroxyphenyl)glycine 9.4057302 9.3403015 0.065428697 N-(4-hydroxyphenyl)glycine 8.5370598 8.7950649 -0.25800446 p-Hydroxyphenylglycine 9.2925596 9.3403015 -0.047741301 4-Hydroxypipecolic acid 9.4364204 9.9009867 -0.46456632 5-Hydroxypipecolic acid 9.3923101 9.9009867 -0.50867629 5-Hydroxypiperidazine-3-carb9.5134697 9.612812 -0.099341698 17-hydroxypregnenolone 9.5170097 9.8028402 -0.28582984 2-Hydroxyproline 9.56217 10.291264 -0.72909349 3-Hydroxyproline 9.6678801 9.7884378 -0.12055772 4-Hydroxyproline 9.6407299 9.9163208 -0.27559116 3-hydroxyproline betaine 15.40909 15.444564 -0.035473872 4-hydroxyproline betaine 15.47854 15.512413 -0.033873498 hydroxypropyl methacrylate 10.54997 10.340392 0.20957796 8-hydroxyquinoline sulfate 8.8018599 8.8826599 -0.080799609 3-Hydroxystachydrine 15.40892 15.444564 -0.035643872 12-hydroxystearic acid 10.99188 10.873096 0.11878423 hydroxystilbamidine 8.5005302 8.7568426 -0.25631303 4-Hydroxytestosterone 9.2840099 9.4983397 -0.21432929 hydroxytetracaine 8.8011599 8.8463345 -0.045174621 8-Hydroxy-1,2,3,4-Tetrahydro8.8856001 8.9957266 -0.11012668 beta-Hydroxythiofentanyl 9.0005302 9.0465641 -0.046033926 5-hydroxytryptophan 8.3428698 8.5039692 -0.16109903 hydroxytyrosol 8.9131298 9.0644093 -0.15127964 hydroxyurea 9.4734297 10.100292 -0.62686247 3-hydroxyvaline 9.6989899 9.7911386 -0.092148229 a-Hydroxyvaline 9.7743702 10.123548 -0.34917787 g-Hydroxyvaline 9.9168596 9.7911386 0.12572177 N-hydroxyvaline 10.13366 10.123548 0.010112138 hymecromone O,O-diethyl phos9.2527304 8.8822346 0.37049535 hymecromone 9.2068796 9.2302532 -0.023373693 hymexazol 10.06408 9.7963257 0.26775393 hyoscyamine 9.1820803 9.1324425 0.049637437 Hypaphorine 8.8001699 8.7622776 0.03789198 hyperoside 9.1968002 9.1567039 0.040095937 hypochlorous acid 10.12252 10.12252 1.5152324E-12 Hypoglycine A 9.9887304 9.684536 0.30419385 hypoglycine B 9.9972296 9.9136925 0.083537973 hypophosphoric acid 10.01366 10.494452 -0.48079228 hypophosphrous acid 9.8274097 10.53029 -0.70287997 hypotaurine 9.9212704 9.6800404 0.2412294 hypusine 9.1556501 9.1782532 -0.022603635 hyquincarb 9.4110699 9.0333796 0.37769082 3-hyrdoxysulfolane 11.05321 10.815582 0.23762767 ibandronate 9.1091099 9.2431736 -0.13406359 ibipinabant 9.0907497 9.214242 -0.12349167 ibogamine 8.2362299 8.5021133 -0.26588345 Ibotenic acid 10.10137 9.934351 0.16701949 ibrutinib 8.7718697 8.8763599 -0.1044901 ibudilast 8.9433298 9.4438334 -0.50050348 ibufenac 9.4973803 9.7668591 -0.26947945 ibuprofen 9.4879799 9.5717449 -0.083765127 ibutamoren 8.8681202 8.8241796 0.043940738 icaridin 9.6695805 9.8369951 -0.16741504 ICI 153066 9.7774401 9.9098682 -0.13242823 iclaprim 8.6389999 8.830677 -0.1916766 icomucret 9.1529198 9.0799932 0.072926313 icosabutate 9.6106796 9.7151623 -0.10448186 icosane 11.26408 10.989535 0.27454457 icosapent ethyl 9.5383596 9.2417154 0.29664409 idalopirdine 8.6098604 8.4867668 0.12309295 idelalisib 9.1438704 8.9194727 0.22439766 IDRA-21 9.0675602 9.3462667 -0.27870634 ifosfamide 9.4401197 9.4689322 -0.02881206 ilaprazole 8.6299896 8.7722139 -0.14222355 illudin S 9.0533199 9.4035826 -0.35026261 iloperidone 9.2804098 9.2493219 0.031087682 ilorasertib 8.0585098 7.6642838 0.39422613 imagabalin 9.5330801 9.8413715 -0.30829176 imazalil 9.4040403 9.1493721 0.25466746 imazamethabenz-methyl (meta)9.7132397 9.537735 0.17550474 imazamethabenz-methyl (para)9.6972103 9.537735 0.15947475 imazamox 9.3779202 9.5894175 -0.21149741 imazapic 9.54457 9.5433512 0.0012190352 imazapyr 9.7316399 9.625762 0.10587838 imazosulfuron 9.2209501 9.3169527 -0.096002959 imexon 9.9911203 9.5201941 0.4709264 imibenconazole 9.1780596 9.5986824 -0.42062265 imidacloprid 9.8461704 9.5293636 0.31680605 imidaclothiz 9.8746099 9.4689159 0.40569425 imidazole 9.4527102 9.1732359 0.27947408 4-Imidazoleacetic acid 9.3281603 9.6232853 -0.29512495 imidazole salicylate 8.0728998 8.0728998 4.0678572E-12 imidazolidine 9.4646301 9.4463634 0.018266266 imidazolidinyl urea 10.17908 10.432542 -0.2534616 iminodiacetic acid 9.9879704 10.363267 -0.37529704 N-Iminoethylornithine 9.4917202 9.1916704 0.30004939 2-Imino-4-hydroxyhexahydro-69.1360903 9.3713179 -0.23522821 imipenem 9.0413704 8.9341335 0.10723639 imipramine n-oxide 8.0876904 8.5857086 -0.49801886 imiquimod 8.3295498 8.5991306 -0.26958057 improsulfan 9.4880505 9.8266592 -0.33860889 imuracetam 9.5038795 9.1379528 0.36592704 inabenfide 8.9355202 9.023488 -0.087968484 indane 9.2237701 9.4632158 -0.23944604 indanofan 9.3816004 9.7388783 -0.35727865 indapamide 8.8741302 9.1532373 -0.27910709 indatraline 9.1569595 9.0823441 0.074615806 indecainide 9.10849 8.8025255 0.30596447 indeglitazar 8.6890898 8.5336781 0.15541197 indeloxazine 9.00035 8.7559891 0.24436083 indeloxazine hydrochloride 8.9932604 8.9357176 0.057542514 indene 8.9643002 8.9694519 -0.0051522325 4,5-indeno-1,3-dioxan 9.45994 9.6701012 -0.21016106 indibulin 8.8454304 8.6368179 0.20861217 indicaxanthin 11.97618 11.631854 0.34432572 indiplon 8.8386497 8.7517157 0.086934701 indisulam 8.5538502 8.9512615 -0.39741185 indium 0 1.7230661E-13 -1.7230661E-13 indobufen 8.9119596 9.1775551 -0.2655952 indole 8.3523703 8.4364462 -0.084076412 indoleacetic acid 8.5395498 8.7479286 -0.2083787 N-(Indole-3-acetyl)-aspartic12.48539 12.511314 -0.025924701 indole-3-butyric acid 8.4004803 8.7367916 -0.33631182 indoline 8.5401201 8.8908138 -0.35069397 indolmycin 8.4787102 8.7623014 -0.28359115 indometacin farnesil 8.5699902 8.6220179 -0.05202781 indomethacin 8.6261301 8.5571175 0.069012113 indoprofen 8.8972702 8.8932705 0.0039995005 indospicine 9.1933403 9.3590717 -0.16573171 indoximod 8.3116798 8.4780712 -0.16639131 ingenol 9.9616604 9.7476282 0.21403134 inophyllum A 8.7741098 8.7591581 0.014952161 inophyllum B 8.8844204 8.7591581 0.12526216 inositol 10.98407 10.778362 0.20570777 myo-inositol 11.0031 10.778362 0.22473778 inotilone 8.8551702 8.9778461 -0.12267659 alpha-ionone 9.5216503 9.4563618 0.065288238 beta-ionone 9.1376495 9.3874321 -0.24978228 ipatasertib 9.1788702 8.9530735 0.22579665 ipazine 9.0080299 9.1422882 -0.13425839 ipconazole 9.2623796 9.3648291 -0.10244948 iprobenfos 9.3783503 9.4096756 -0.031325705 iproclozide 9.2712898 9.0619335 0.20935689 iproniazid 9.33319 9.5323963 -0.19920629 ipronidazole 10.26068 9.7165823 0.54409796 iprovalicarb 9.4240704 9.2948656 0.12920447 iprymidam 8.8865499 8.9003954 -0.013844942 ipsdienol 9.3375902 9.4315958 -0.09400589 ipsenol 9.43859 10.126395 -0.68780488 IPSP 9.1767197 9.2394419 -0.062721394 irdabisant 8.68958 8.6099815 0.079598777 irofulven 9.1190395 8.9550161 0.16402408 cis-alpha-irone 9.5089903 9.2779331 0.23105669 trans-alpha-irone 9.5045795 9.2779331 0.22664669 beta-irone 9.2282495 9.420393 -0.19214265 gamma-irone 9.95576 9.8301039 0.12565623 irosustat 9.2244902 9.3384752 -0.11398554 isamidofos 8.6934996 8.8800888 -0.18658909 isatin 9.1917295 9.3741417 -0.18241203 isatoic anhydride 9.5657301 9.6508808 -0.085151009 isazophos 9.3716402 9.4414892 -0.06984885 isethionic acid 11.44932 10.679355 0.76996577 isoamyl acetate 11.15539 10.929511 0.22587903 isoamyl benzoate 10.05458 9.9568272 0.097753167 isoamyl formate 11.13958 10.982876 0.15670455 isoascorbic acid 9.4466696 9.4821863 -0.035516672 isobenzan 9.5374603 9.7243299 -0.18687022 isobornyl cyclohexanol 10.66286 10.534829 0.12803113 isobornyl methacrylate 10.51265 10.497723 0.014926942 isobornyl acetate 10.96598 10.724493 0.24148692 isobutane 11.59803 11.610965 -0.012934902 isobutavan 9.7372599 9.7151337 0.022126343 isobutyl acetate 11.24647 11.0027 0.24377 isobutylamine 9.3488903 9.5468121 -0.19792219 isobutyl cyanoacrylate 11.14778 10.867465 0.28031477 isobutyl formate 11.31811 11.044321 0.27378911 isobutyl isobutyrate 11.04756 10.843913 0.20364699 isobutyl nitrite 10.64509 11.115097 -0.47000694 isobutylparaben 9.5129995 9.6903915 -0.17739163 isobutyl propionate 11.14883 10.90224 0.24659026 isobutyl quinoline 9.1614904 9.1814661 -0.019975938 isobutyl 2-quinoline 9.1614904 9.1814661 -0.019975938 isobutyraldehyde 10.54101 10.151345 0.38966486 isobutyric acid 11.23834 11.23834 -7.9580786E-13 isobutyronitrile 12.06439 12.06439 1.0267343E-12 isocarbamid 9.5017796 10.01513 -0.51334971 isocarboxazid 9.3515797 9.2264233 0.1251567 isocitric acid 11.4947 11.4064 0.088300727 isoconazole 9.4011202 9.2514296 0.14969029 isocupressic acid 9.6101103 9.728261 -0.11815129 2-isocyanato-1-methoxy-4-met8.7248697 9.1314878 -0.40661809 isocyanic acid 10.59313 10.246615 0.34651485 isocyclemone E 9.1228199 9.3690472 -0.24622732 isocyclocitral 9.6260796 9.3222246 0.30385515 isocyclogeraniol 9.39011 9.3416414 0.048468307 isocytosine 9.18291 9.2721157 -0.089205809 isodesmosine 11.91003 12.106347 -0.19631691 isodurene 9.0287704 9.2567053 -0.22793542 isoeugenol 8.4537096 8.8618422 -0.40813255 isofenphos 9.2962303 9.081625 0.21460481 isofetamid 9.3497601 8.9979486 0.35181171 isoflavan 9.0151396 8.9147615 0.10037867 isoflavone 9.29006 9.2462463 0.043813888 isoflurane 11.28096 11.657694 -0.37673399 isoflurophate 11.0207 10.438244 0.58245605 isoguanine 8.5551205 8.4646606 0.090459391 isohexadecane 10.99583 10.845818 0.15001243 isohumulone 9.4674997 9.7605391 -0.29303938 isoindoline 9.0858498 9.0529709 0.032879375 isoladol 9.07936 9.0226231 0.056737162 isoleucine 9.8414698 10.124805 -0.28333551 isoliquiritigenin 9.0259199 8.9559784 0.069941394 isolongifolene ketone 10.27023 10.26626 0.0039695906 isomaltol 9.3613596 9.3823166 -0.020957064 isomethadone 9.0303402 8.970892 0.059448514 isomethiozin 9.2056704 9.5590982 -0.35342863 alpha-isomethylionone 9.5899496 9.5246143 0.065335318 isoniazid 10.01429 9.7631817 0.25110862 isoniazid methanesulfonate 10.24899 9.9845285 0.26446125 isonicotinamide 9.9610701 9.7875557 0.17351383 isonicotinic acid 10.39742 10.189478 0.20794179 isonipecotic acid 9.5602903 9.9152708 -0.35498041 isonixin 8.6368399 8.6624546 -0.025614502 isooctane 11.3388 11.3388 -2.4868996E-12 izopamphos 9.4862404 9.4509525 0.035287105 isoparaffin, C10-13 11.18222 10.823436 0.3587845 isopentenyl pyrophosphate 9.8310699 9.9430323 -0.11196229 isophorone 10.07514 9.7865362 0.28860357 isophorone diamine 9.3626204 9.2429113 0.11970908 isophorone diisocyanate 10.14229 9.6640663 0.47822335 isophthalic acid 10.50244 10.236507 0.26593307 isophytol 10.55927 10.256147 0.30312279 isopiperitenol 9.62642 9.2431717 0.38324827 isoprene 9.35186 9.600728 -0.24886835 isoprocarb 9.5156898 9.2256746 0.29001579 isopropalin 9.83039 9.8063354 0.024054142 isopropanol 11.04577 11.045215 0.00055499998 isopropryl acetate 11.15155 10.569188 0.58236212 isopropylamine 9.4847803 9.6373119 -0.1525315 isopropylate 9.3431101 9.2704792 0.072630785 Isopropylcarboxymethylcystei9.5002098 9.253973 0.24623734 cis-4-(isopropyl)cyclohexane10.77983 10.47211 0.30772024 5-Isopropyl-2,6-diethyl-2-me10.27633 10.219769 0.056561064 isopropyl ether 10.65967 10.291799 0.36787179 N-Isopropylglutamine 9.6429901 9.4809856 0.16200481 isopropyl methoxy pyrazine 9.5788498 9.2234125 0.35543722 isopropyl methyl-2-butyrate 10.97381 10.657789 0.31602037 isopropyl nitrite 10.56853 10.558586 0.0099442555 6-isopropyl quinoline 9.1480503 9.0430698 0.10497998 8-isopropyl quinoline 9.0799799 9.0351324 0.044848036 isoproterenol 8.8398304 8.7988405 0.040989209 isoprothiolane 9.3293505 9.5354452 -0.206095 isoproturon 8.74963 8.7831335 -0.033503588 isopyrazam 8.7524595 8.5262165 0.22624385 isopyrimol 9.3859196 9.5242434 -0.13832371 isoquinoline 9.1825304 9.3165188 -0.13398869 isorhamnetin 8.5017595 8.6501417 -0.14838174 isosafrole 8.6589699 8.9305935 -0.27162373 isoserine 9.8252897 9.8383503 -0.01306 isosorbide 10.84693 10.176194 0.6707359 isosorbide dinitrate 11.78316 11.837798 -0.054637957 isosorbide-5-mononitrate 11.16631 11.057034 0.10927591 isostearic acid 11.22239 10.768708 0.4536818 isothiazole 9.8631001 9.3225899 0.54051048 isothiazalinone 9.1545601 9.3414268 -0.18686648 isothiazolinone compound 9.3277903 9.370223 -0.042433389 isothioate 9.1543102 9.03724 0.11707036 isothipendyl 7.9532399 8.0414085 -0.088168882 isotianil 9.2490101 9.4395227 -0.19051282 isotretinoin 8.3321304 8.5546885 -0.22255869 isouron 9.32691 9.0529804 0.27393004 isovaledione 9.3562698 9.0991564 0.25711331 isovaleraldehyde 10.60027 10.824818 -0.22454758 isovaleramide 9.7272301 10.478483 -0.75125366 isovaleric acid 11.32817 11.034032 0.2941379 isovaleryl diethylamide 9.33706 9.6371307 -0.30007079 isovaline 9.7967796 9.8975954 -0.1008157 isovalthine 9.2765903 9.2922859 -0.015696336 isoxaben 8.81532 9.0075836 -0.19226407 isoxachlortole 10.03966 10.207692 -0.16803195 isoxadifen 9.8646698 9.9007654 -0.036095016 isoxadifen-ethyl 9.8137598 9.7780495 0.035710853 isoxaflutole 10.33933 10.579291 -0.23996119 isoxapyrifop 9.2280903 9.4318981 -0.20380789 isoxathion 9.3787298 9.3317747 0.046955016 isoxazole 10.32186 9.9142857 0.40757471 isoxazolidine 9.6054602 10.072399 -0.46693945 isoxepac 9.3795099 9.2115297 0.16798049 isoxicam 9.3237801 9.2127142 0.11106621 isoxsuprine 8.9832001 8.7410736 0.2421262 ispronicline 9.0400696 9.0763111 -0.036241539 isradipine 8.7355299 8.8864851 -0.1509553 ivacaftor 8.2958403 8.8734636 -0.57762343 ivosidenib 9.4733105 9.160347 0.31296313 2,4-ivy carbaldehyde 9.5398197 9.5553865 -0.015566215 ixazomib 9.6809902 9.1804934 0.5004968 jacinthaflor 9.7671804 9.7465582 0.020621985 japanic acid 11.34283 10.771896 0.57093382 japonilure 10.07967 10.417527 -0.33785689 japothrins 9.1485596 8.9443579 0.20420228 jasmin cyclopentanone 10.50356 10.62681 -0.12325024 jasmolin I 9.6145802 9.6391668 -0.024587296 jasmolin II 9.8345604 10.042155 -0.20759481 jasmone (cis) 9.7256403 9.3528919 0.37274781 jasmone (trans) 9.7144203 9.3528919 0.3615278 jasmonic acid 9.8025198 10.063769 -0.26124939 jasmopyrane 10.80084 10.633753 0.16708726 Javanol 10.46043 10.0048 0.4556303 jervine 9.4716501 9.2026033 0.26904675 jiahuangchongzong 9.3122196 9.1187754 0.19344425 jiecaoxi 9.6756496 9.8732834 -0.19763379 JNJ-16241199 9.2636805 9.092391 0.17128924 JTE 7-31 8.8741598 8.418231 0.45592931 JTE-907 8.9258699 8.9144258 0.011444055 juglone 9.6383495 9.4522629 0.18608707 juvenile hormone I 9.6981096 9.4362755 0.26183447 juvenile hormone II 9.6364698 9.750308 -0.11383783 juvenile hormone III 9.6394701 10.080435 -0.44096485 JWH-007 8.4839296 8.6011686 -0.11723831 JWH-018 8.5543098 8.6162262 -0.061916489 JWH-019 8.5466404 8.6080246 -0.06138413 JWH-073 8.5377502 8.5542345 -0.016484637 JWH-098 8.5195904 8.6323833 -0.1127938 JWH-133 8.8728199 9.0202703 -0.14745061 JWH-164 8.4959002 8.5549793 -0.059079517 JWH-193 8.63309 8.5515842 0.081506185 JWH-198 8.6799097 8.612874 0.067036286 JWH-200 8.6521101 8.5918159 0.060294285 JWH-203 8.5990105 8.7003088 -0.10129847 JWH-204 8.5054598 8.627389 -0.12192929 JWH-210 8.5323496 8.5293779 0.0029716792 JWH-249 8.5841503 8.9431114 -0.35896185 JWH-250 8.5141296 8.7108393 -0.19670902 JWH-251 8.60361 8.6957836 -0.092173733 JWH-398 8.5964403 8.6457052 -0.04926547 K 253 9.3621798 9.3343868 0.027793504 K 503 9.4217396 9.4716768 -0.049936779 K 666 9.4630299 9.4120874 0.050942369 kaempferol 8.4356499 8.8090849 -0.37343454 kainic aicd 9.70613 9.6523724 0.053757414 karbutilate 8.71838 8.7796459 -0.06126589 karetazan 8.9588404 9.3517084 -0.39286858 karsil 8.7218103 8.7999487 -0.078138664 kayaphenon 9.2249804 9.1293087 0.095671415 kebuzone 9.32623 9.1264648 0.1997655 Kephalis 9.5389099 9.4963179 0.042592146 kermesic acid 9.1883001 9.0983553 0.089944802 ketamine 9.1693897 9.3571415 -0.18775159 ketanserin 9.2243996 9.2204924 0.0039079869 ketazolam 9.03368 8.8471794 0.18650062 kethoxal 10.31269 10.933928 -0.6212371 ketobemidone 8.9679403 8.9294806 0.038459171 alpha-ketoglutaric acid 11.22589 11.11488 0.1110101 d-ketoleucine 10.06027 9.6900873 0.37018242 4-Ketonorleucine 10.0342 9.689023 0.34517652 ketoquinaldic acid 8.9290104 9.5879583 -0.65894854 ketorolac 9.25315 9.0994625 0.15368797 ketospiradox 4.4557099 4.4557099 -8.1691098E-11 ketotifen 9.2194996 8.9753647 0.24413508 kinetin 9.0707197 8.6717634 0.3989563 kitasamycin 9.1424999 9.4607487 -0.31824902 KK-42 8.6205702 8.9894171 -0.36884752 KM-233 8.8793001 8.582099 0.29720071 knockbal 9.5121098 9.160552 0.3515577 kojic acid 9.4723797 9.7397528 -0.26737291 kopexil 14.04272 14.253963 -0.21124382 kresoxim-methyl 9.0767202 9.1511202 -0.074400552 kynurenic acid 9.2329702 9.1801968 0.052773405 kynurenine 8.8085699 8.9397297 -0.13116008 kynurenine yellow 9.2955103 9.2694473 0.026062243 L-702019 8.4391003 8.7858438 -0.34674349 labetalol 9.3047199 8.8331671 0.47155252 Labienoxime 9.0173597 9.0722628 -0.054902609 lacosamide 9.4938803 9.3568182 0.13706176 lactivicin 10.13576 10.500589 -0.36482906 lactofen 10.19443 9.9550934 0.23933673 p-lactophenetide 8.7284002 9.0276661 -0.29926586 lactose 10.73038 10.801554 -0.071173474 lactulose 10.71997 10.366734 0.35323644 laetisaric acid 9.4805698 10.263097 -0.78252667 laminine 6.2646699 7.4985528 -1.2338825 lamotrigine 9.0430403 8.7447672 0.29827267 landipirdine 9.7168999 9.7127256 0.0041745491 LANDRIN 9.2113304 9.1242743 0.087056212 lanoconazole 9.06429 9.3833876 -0.31909767 lanopepden 9.3908701 8.9758043 0.41506553 lansoprazole 9.1434298 9.1814051 -0.037974734 lanthionine 9.6706696 9.4819345 0.18873516 lapaquistat acetate 8.9847898 9.0405264 -0.055736359 lapatinib 8.5587397 8.4608507 0.097889386 lapyrium chloride 4.44134 4.44134 3.9858694E-10 laquinimod 7.5799098 7.4209719 0.15893796 laromustine 9.8698702 9.9786415 -0.10877188 laropiprant 8.8159103 8.7724752 0.04343494 larotrectinib 8.2138901 8.7467031 -0.53281277 laricitrin 8.5934801 8.5057144 0.087765783 lasalocid 9.1305599 9.5802965 -0.44973677 lasmiditan 8.9537096 9.2368841 -0.2831738 latanoprost 9.5752296 9.7242756 -0.14904584 latanoprostene bunod 9.6360998 9.3806257 0.25547454 Lathyrus factor 9.9044199 9.7942333 0.11018686 latrepiridine 8.11483 8.1710415 -0.056211866 lauramide MEA 9.6743603 9.8000393 -0.12567911 lauramide MIPA 9.6628304 9.8599415 -0.19711104 lauramine 9.3968096 9.6996164 -0.30280614 lauramine DEA 9.2556801 9.3584318 -0.10275178 lauramine oxide 9.9516296 9.7969923 0.15463786 lauraminopropylamine 9.1821804 9.0708513 0.11132857 laureth-10 10.58972 10.504519 0.085200064 laureth-12 10.58987 10.309793 0.2800768 laureth-6 10.58617 10.643846 -0.057675298 lauric acid 11.32124 10.732185 0.58905476 lauroyl lysine 9.5178099 9.2201853 0.29762429 lauroyl sarcosine 9.7570601 9.9033184 -0.14625862 lauryl alcohol 10.89614 10.522044 0.37409568 lauryldimethylamine 8.9733295 9.6298695 -0.6565395 lauryl lactate 11.07779 10.769526 0.30826488 lauryl pyrrolidinone 9.5132399 9.751915 -0.23867472 lauryl sulfate DEA 9.3411598 9.7215528 -0.38039327 lawsone 10.16755 9.204195 0.963355 lazabemide 9.5707102 9.3503637 0.22034582 lecozotan 8.9874697 9.0012884 -0.013818843 lefetamine 9.0627003 8.6070137 0.45568669 lemborexant 9.1977701 9.243659 -0.045889147 lenabasum 8.9582701 8.9559593 0.0023108895 lenacil 9.1353703 9.0680685 0.067301251 lenalidomide 9.1171398 9.1599979 -0.042857621 lenperone 9.3163605 9.5797119 -0.26335207 lenvatinib 9.1326504 8.8920603 0.24059011 leptophos 9.01439 8.9809637 0.03342649 lercanidipine 8.6830797 9.0604601 -0.3773804 lesinurad 9.0316401 8.8326797 0.19896041 lesivirine 9.7639904 9.42451 0.33948004 lesopitron 8.8705597 8.8892097 -0.018649485 letrozole 10.2668 10.094385 0.17241454 L-leucine 9.91362 10.221016 -0.30739638 levalbuterol 8.8147097 8.9132357 -0.098525897 levallorphan 8.8700504 8.9027414 -0.032690998 levamlodipine 8.6560202 8.6098671 0.04615315 levetiracetam 9.4413404 9.5718565 -0.13051613 levobunolol 9.3074503 9.1961241 0.11132588 levodopa 8.8572102 9.0865374 -0.22932735 levofloxacin 8.9225302 8.8163414 0.10618836 levoglucosan 10.89444 10.573805 0.32063505 levoglucosenone 10.42841 10.384922 0.043487765 levomefolate calcium 8.4303198 8.2188101 0.2115097 levomeproma 7.8011799 7.7858691 0.015310941 levomilnacipran 9.2683401 9.1775484 0.090791851 levonordefrin 8.8589096 8.8628445 -0.0039341911 levophenacylmorphan 8.8394203 8.9937706 -0.15435019 levormeloxifene 8.7267199 8.8881245 -0.16140476 levorphanol 8.8071699 8.8071899 -0.000019645948 levosimendan 8.9984198 9.2078123 -0.209392 levosulpiride 9.1691999 9.1221552 0.047044594 levulinic acid 10.97233 10.58262 0.38971031 lexibulin 8.5237198 8.5404987 -0.016778704 lidocaine 9.0511599 8.8988075 0.1523529 lifitegrast 9.41222 9.1922865 0.21993327 lilac aldehyde 9.48388 9.5330954 -0.049215037 lilial 9.4825401 9.3191547 0.16338488 lily pentanal 9.5161505 9.4955244 0.020625135 DL-limonene 9.3527098 9.3736029 -0.020892985 D-limonene 9.3486004 9.3736029 -0.025002986 linalool 9.2886496 9.5267687 -0.23811865 linalool oxide 9.2999802 9.8149023 -0.51492202 linalyl acetate 9.5131702 9.5293789 -0.016208479 linalyl benzoate 9.5020704 9.1520538 0.3500157 linalyl cinnamate 9.4053297 8.8970222 0.5083077 linalyl formate 9.4984398 9.5020018 -0.0035617589 linalyl isobutyrate 9.5100403 9.5693703 -0.059330683 linamarin 10.74839 10.313847 0.43454322 linatine 9.5123701 9.4819155 0.030454963 lindane 10.40804 10.361904 0.046136305 lineatin 10.6888 10.244832 0.44396779 linezolid 8.69419 9.1060877 -0.4118979 linolenic acid 9.2775402 9.7431517 -0.46561134 linuron 8.8978205 8.9232454 -0.025425745 epsilon-N-lipoyllysine 8.4344997 8.8146839 -0.3801842 liquiritigenin 9.3434296 9.131835 0.21159545 liranaftate 8.7832203 8.69168 0.091539636 lisdexamfetamine 9.2802801 8.9783573 0.30192274 lithium carbonate 9.5479698 11.263631 -1.715661 lithium citrate -10.69327 -10.660813 -0.032456681 litlure, component 1 9.05229 9.2031221 -0.15083221 litlure, component 2 9.7514601 9.949955 -0.19849487 lobelane 8.9815197 8.8161449 0.16537501 lobelanidine 9.0888596 8.9220762 0.16678347 lobelanine 9.1695404 9.1333113 0.036229167 lobucavir 8.89709 8.9191179 -0.022028176 lodenosine 8.9479599 9.160037 -0.21207657 loflucarban 8.83428 8.4267035 0.40757644 lombricine 9.0239296 9.4363956 -0.4124659 lomefloxacin 8.9727001 8.8254461 0.14725411 lomustine 9.9222002 9.5875483 0.33465168 lonaprisan 9.3536596 9.7583227 -0.40466285 lonazolac 8.6963701 8.8214283 -0.12505843 lonidamine 9.0489397 9.1284561 -0.079516269 looplure 9.8412399 10.384711 -0.54347116 lophine 8.4712696 8.7097206 -0.23845035 loracarbef 9.2937603 9.0646925 0.22906795 lorazepam 9.0848198 9.1306629 -0.045843214 lorcaserin 9.1429996 9.063756 0.079244293 lorlatinib 8.56141 8.6594696 -0.098059662 lornoxicam 9.1875 8.9251862 0.2623134 losmapimod 9.3924599 8.8034859 0.5889743 lotaustralin 10.71241 9.7331076 0.97930276 loteprednol etabonate 10.17513 9.9890661 0.18606341 lotilaner 9.69065 9.5064974 0.18415272 loxapine 8.7451897 8.8240767 -0.078886345 loxoprofen 9.6878004 9.733531 -0.045731124 loxtidine 9.0468302 8.8311443 0.21568589 LS-80707 9.7738304 9.4515648 0.32226536 LS830556 9.5384102 9.6561184 -0.11770845 lubabegron 8.66399 9.091939 -0.4279494 lubazodone 9.0970097 9.090847 0.0061627608 lubiprostone 10.67208 11.116396 -0.44431567 lufenuron 8.9254904 9.1415329 -0.21604331 luliconazole 8.9706497 8.8782091 0.09244059 lumisterol 8.6854 8.8086338 -0.12323395 lunacalcipol 8.7871904 8.9040098 -0.11681954 lupanine 9.1251001 9.3961821 -0.27108195 lupeol 9.7901602 9.8432312 -0.053070869 lupinine 9.0230999 9.7777672 -0.75466686 lurasidone 8.5464296 8.9893808 -0.44295076 lusutrombopag 9.0056295 8.9539738 0.051655844 lutein 7.7519798 7.6836843 0.06829562 luteolin 8.9999599 8.8599529 0.14000703 LY-214352 8.9022503 9.0616379 -0.15938748 LY294002 9.0165396 8.9413271 0.075212732 LY-503,430 9.2370701 9.0582333 0.17883651 lycopene 7.7384701 7.8970518 -0.15858157 lycopodine 9.0637302 9.6727009 -0.60897076 lycorine 8.9016504 8.6387243 0.2629258 LYRAL® 9.8988199 10.024393 -0.12557279 Lyral, methyl anthranilate S9.2864904 9.1886091 0.097880416 lysergide 8.1707602 8.5049639 -0.33420408 beta-Lysine 12.46715 12.308358 0.15879197 lysopine 9.4483204 9.5339804 -0.08566007 lythidathion 9.3959398 9.6962671 -0.30032697 macbal 9.4004602 9.1170673 0.28339231 macitentan 9.7296801 9.6313734 0.098306201 MADU 8.6099195 8.8779774 -0.26805764 mafenide 9.8011703 9.5589781 0.24219222 magnesium carbonate 6.5290699 11.263631 -4.734561 magnesium chloride 10.67024 10.67024 -3.5847343E-09 magnesium fluoride 13.88675 13.88675 -9.9831254E-13 magnesium peroxide 13.07218 13.07218 3.5839136E-09 magnesium sulfate 11.07668 11.07668 -1.9184654E-12 Malachite green 8.08078 8.0776463 0.0031333715 malathion 9.4147501 9.8114004 -0.39665076 maleic acid 11.52771 10.848477 0.67923301 maleic anhydride 11.70807 10.841113 0.86695683 maleic hydrazide 9.1365404 9.6470728 -0.51053315 L-malic acid 11.39155 11.184286 0.20726402 malonamide 9.77108 9.8251581 -0.054078069 malondialdehyde 10.8885 10.571221 0.31727818 malonic acid 11.66302 11.021658 0.64136225 malonoben 9.1792097 9.1612396 0.017970501 N-a-Malonyl-D-alanine 10.12762 10.306598 -0.17897747 N-a-Malonyl-D-methionine 9.3341103 9.5805368 -0.2464269 N-a-Malonyl-D-tryptophan 8.6435099 8.9604988 -0.31698847 maltitol 10.19738 10.705841 -0.50846124 maltol 9.2437401 9.3072233 -0.063483387 malvidin 11.97226 11.796212 0.17604744 malvin 11.54454 11.616479 -0.071938798 Man-8 9.7736902 10.10647 -0.33278057 mandelic acid 9.7771702 10.108489 -0.33131859 manidipine 9.1150703 8.9605627 0.15450725 D-mannitol 10.78291 10.850883 -0.067972191 mannitol hexanitrate 11.77494 11.934092 -0.15915154 mannomustine 9.4606104 9.7895832 -0.3289735 D-mannose 10.60931 10.853756 -0.24444628 mannosulfan 11.34756 10.767311 0.58024848 manzanate 11.00466 10.879322 0.1253383 mapracorat 9.17029 8.6009417 0.56934816 maraviroc 9.5371304 9.5977154 -0.060585238 mardepodect 8.6210604 8.7558928 -0.13483244 marizomib 10.00778 10.116545 -0.10876453 masitinib 8.42904 8.5139637 -0.08492367 Massoia lactone 10.80892 10.540409 0.26851124 matairesinol 9.0390701 9.0832195 -0.044149324 matrine 9.1814404 9.2933645 -0.1119246 mavacoxib 9.6113901 9.5345249 0.076864615 mazidox 9.44028 9.0211163 0.41916418 mazindol 9.1793098 9.0078783 0.17143203 mazipredone 9.2182198 9.1816254 0.036594916 S-MBTU 8.72437 8.6465101 0.077859566 MCPA 9.4193001 9.4799929 -0.060693026 MCPA-butyl 9.3810797 9.4337902 -0.052710593 MCPA-ethyl 9.3434801 9.4596567 -0.11617666 MCPA-isopropyl 9.3739204 9.4751225 -0.1012029 MCPA-methyl 9.3893099 9.458786 -0.069475986 MCPB 9.2958202 9.4909458 -0.19512594 MCPCA 9.0683002 8.6764307 0.39186901 MDA 9.0269699 9.0168915 0.010078433 MDA-19 8.7267904 8.939765 -0.21297546 MDE 9.0439901 8.9126253 0.13136435 MDL 28574 9.3818302 9.8551779 -0.4733479 MDMA 9.04459 8.9606047 0.08398515 MDPV 8.9998903 9.3716955 -0.37180543 MDV3100 9.4041004 9.5002136 -0.096114077 mebendazole 9.0513601 9.1888409 -0.13748106 mebenil 8.8681498 8.8414631 0.026687013 mebolazine 9.1989498 9.4130745 -0.21412475 mebroqualone 8.9511003 9.259222 -0.30812204 mecamylamine 9.0783701 9.1498804 -0.071510054 mecarbam 9.6942997 9.4661407 0.22815941 mecarphon 9.4030895 9.3002052 0.10288479 mechlorethamine 9.6009998 9.8318691 -0.23086901 mechlorethamine oxide 10.37592 10.018051 0.35786933 mecillinam 9.0397701 9.2571888 -0.21741903 meclizine 9.0573997 8.9549026 0.10249756 meclofenoxate 9.2681398 9.2152157 0.052924301 mecloqualone 8.9670401 9.077404 -0.11036369 mecloralurea 10.0477 10.22448 -0.17677978 mecoprop 9.3048096 9.3863411 -0.081530809 medifoxamine 8.9500103 8.7783823 0.17162795 medlure 10.51492 10.334022 0.18089841 mefenpyr-diethyl 8.6839705 9.2125902 -0.52862006 mefexamide 8.9360304 8.7946968 0.14133343 mefloquine hydrochloride 9.6852398 9.8746281 -0.18938789 mefluidide 9.1471796 8.9917641 0.15541621 megatomoic acid 9.24335 9.5473366 -0.30398622 meglutol 11.36848 10.836086 0.53239411 melamine 9.2193804 9.4427824 -0.22340225 melarsomine 8.5657501 9.0129194 -0.44716969 melarsoprol 8.6908798 8.8336229 -0.14274287 melatonin 8.3875704 8.302247 0.085322782 meldonium 7.3441701 7.1217737 0.22239631 Meldrum's Acid 11.65487 11.036657 0.6182124 melengestrol 9.3627901 9.271369 0.091420636 melevodopa 8.8526697 9.0998411 -0.2471713 melinamide 9.57374 9.0926809 0.48105893 melon heptenal 9.5270004 9.5878944 -0.060894404 meloxicam 8.8277903 9.130765 -0.30297476 melphalan 9.5337296 9.2997122 0.23401783 memantine 9.4366703 9.2324924 0.20417795 MEMC 10.09162 10.54032 -0.44870076 menazon 9.3744402 9.7505102 -0.37607062 menbutone 8.5026302 9.3055534 -0.8029238 menthofuran 8.8185196 9.0242624 -0.20574196 p-Menthane-3,8-diol 10.50031 10.414169 0.086141124 p-menthan-7-ol 10.84936 10.47211 0.37725025 menthol 10.74217 10.533844 0.20832643 l-menthone 10.35154 10.753587 -0.40204644 menthoxypropanediol 10.3578 10.341069 0.016730433 menthyl acetate 10.90471 10.497536 0.40717468 menthyl anthranilate 8.6421604 8.8316355 -0.1894757 menthyl lactate 10.82196 10.546773 0.27518672 methyl levulinate 10.91703 10.52214 0.39489061 menthyl salicylate 9.3320103 9.6109285 -0.27891809 menthyl valerate 10.90188 10.489264 0.41261613 mepazine 7.75454 7.9241743 -0.16963413 meperfluthrin 9.5142403 9.2043018 0.30993819 meperidine 9.1416903 9.3177786 -0.17608814 mephedrone 9.3214302 9.2410431 0.080386795 mephenate 9.3474598 9.3217707 0.025689622 mephenoxalone 9.8324404 9.4650421 0.36739758 mephentermine 9.2182903 9.0539246 0.16436529 mephenytoin 9.8988504 9.5315819 0.36726776 mephobarbital 10.00862 9.8113251 0.19729495 mephosfolan 9.32899 9.3817921 -0.052801874 mepindolol 8.2202501 8.4242172 -0.20396696 mepitiostane 9.12146 9.3977203 -0.27626032 meprobamate 9.9455996 9.7210197 0.22457987 mepronil 8.6305199 8.7845821 -0.15406238 meptazinol 8.7875404 8.9194403 -0.13190004 Merbac 35 biocide 9.6842499 9.880887 -0.19663663 B-Mercaptolactatecysteine di9.5051403 9.2466221 0.25851801 4-mercapto-3-methyl-2-butano9.1690702 9.5069695 -0.33789921 3-mercaptopicolinic acid 9.2767601 9.5897236 -0.31296363 6-mercaptopurine 9.2711601 9.047678 0.22348243 6-mercaptopurine 8.67274 8.8259363 -0.15319659 mericitabine 9.2917099 9.5751753 -0.28346518 merimepodib 8.5223904 8.5163193 0.0060710744 merodesmosine 9.2565899 9.5272703 -0.2706804 merphos 8.7934399 8.8411608 -0.047720667 mertansine 8.6583204 8.3841906 0.27412981 mesabolone 10.40929 9.8623304 0.54695946 mescaline 9.5005503 8.7204247 0.78012502 mesitene lactone 9.3887596 9.5892229 -0.20046248 mesitylene 9.2759705 9.2646446 0.011325333 mesna 8.5871801 9.0770454 -0.48986509 mesosulfuron 9.1814604 9.0232105 0.15824957 mesosulfuron-methyl 9.1852703 9.0770025 0.10826777 mesotrione 11.21704 10.938577 0.27846313 mesterolone 10.41787 10.094625 0.32324523 mesuagin 8.8586397 9.157589 -0.29894897 1-(3-chlorophenyl)piperazine9.1608105 8.9618731 0.1989373 metaclazepam 8.5644102 8.8305416 -0.26613173 metaflumizone 9.1152201 9.2076445 -0.092424139 metalaxyl 9.6287899 9.5409765 0.087813772 metaldehyde 10.59035 10.57782 0.012530204 metam 8.8796597 9.090661 -0.21100152 metamifop 9.0068903 9.0968466 -0.089956544 metamitron 9.27845 9.3644028 -0.085952677 metampicillin 9.6986904 9.5727129 0.12597749 metam sodium 8.11584 8.1354561 -0.019616155 metazachlor 9.4663496 9.5474615 -0.081111521 metazocine 8.8334904 8.5870724 0.24641743 metazosulfuron 9.1758499 9.4469318 -0.27108169 metazoxolon 9.3802099 9.3393335 0.04087624 metconazole 9.52108 9.5647755 -0.043695536 metenolone enanthate 10.13717 9.7525291 0.38464046 metflurazon 9.1858597 9.3457375 -0.15987791 metformin 9.18925 9.190567 -0.0013168845 methabenzthiazuron 9.1420097 9.3388262 -0.19681628 methacholine chloride 8.5746498 8.6170731 -0.042423282 methacrifos 9.6701803 9.7243176 -0.054137737 methacrylic acid 10.59465 10.417342 0.17730738 methallatal 9.3881502 9.5900364 -0.20188615 methallenestril 8.7438002 9.1111307 -0.36733055 methalpropalin 10.24198 10.193844 0.048136331 methamphetamine 9.1670504 9.0986729 0.068376675 metham sodium 8.1247997 8.1247997 -1.0885515E-11 4,7-methano-1H-inden-6-ol, 39.6030397 9.7828474 -0.17980742 methanolethanolamine 9.2497597 9.2421188 0.0076413746 methanol-t-butanolamine 9.5850496 9.7090139 -0.1239641 methaqualone 8.9190598 9.0024786 -0.083418831 metharbital 10.35636 10.100541 0.25581864 methasulfocarb 8.7806396 9.0929861 -0.31234622 methazolamide 9.3704596 9.3929338 -0.022473471 methazole 9.4994497 9.4086361 0.090813644 methcathinone 9.3155804 9.3447008 -0.029121162 methenamine 9.7918797 9.1359558 0.65592462 methetoin 9.8692799 9.6710997 0.19818048 methfuroxam 8.7483997 8.7319269 0.016472882 methicillin sodium 11.44654 11.743896 -0.29735583 methidathion 9.3566504 9.7870741 -0.43042377 methiocarb 8.8636904 8.7047863 0.15890381 DL-methionine 8.9991398 8.8728123 0.1263281 L-methionine 9.0096703 8.8728123 0.13685809 L-methionylglycine 9.07829 8.9285879 0.14970198 methiotepa 8.9356298 8.8469934 0.088636689 methiquat chloride 8.6747904 8.6422253 0.032564756 methisazone 8.9937201 8.8359241 0.157796 methitural 9.3149796 8.9681759 0.34680375 methiuron 8.4913998 8.4271641 0.064236313 methometon 9.1331501 8.9904795 0.14267029 methomyl 9.0622702 9.3787813 -0.31651157 methoprotryne 9.0090199 8.8584881 0.15053146 methoquin-butyl 9.3199902 9.3962784 -0.076288514 methorphan 8.8212996 8.9678516 -0.14655127 2-methoxyaniline 8.3473701 8.652442 -0.30507162 3-methoxyaniline 8.6022797 8.4854212 0.11685872 4-methoxyaniline 8.3172598 8.4854212 -0.16816127 4'-methoxy-alpha-pyrrolidino8.8934298 9.1725712 -0.27914122 4-methoxybutyrfentanyl 9.1030302 9.0804663 0.022564007 methoxychlor 9.2249098 8.9497213 0.27518871 18-methoxycoronaridine 8.3835201 8.5424585 -0.15893897 5-methoxy-N,N-diallyltryptam8.1587095 8.2223558 -0.063645832 5-methoxy-diisopropyltryptam8.1696501 8.1773262 -0.0076757483 5-methoxy-dimethyltryptamine8.2917604 8.1308279 0.16093197 4-methoxyglucobrassican 5.9893198 6.089973 -0.10065304 1-methoxyhexane 10.58388 10.646192 -0.06231131 1-Methoxy-2-hydroxypropane 10.83491 10.469888 0.36502212 2-methoxy-3-isobutyl-pyrazin9.5605898 9.5769577 -0.01636795 4-(1-Methoxy-1-methylethyl)-9.2761202 9.5518742 -0.27575457 2-(methoxymethyl)-5-nitrofur10.17579 10.018351 0.15743978 3-Methoxy-5-methylphenol 8.9626703 8.887702 0.074968338 2-methoxy-5-methylphenyl iso8.5676003 8.7005491 -0.13294914 1-methoxy-2-methyl-2-propano10.77957 10.823233 -0.043662362 methoxymethyltrimethylsilane10.11834 9.7241173 0.39422262 5-methoxy-alpha-methyltrypta8.2094698 8.155015 0.054455463 1-methoxynaphthalene 8.5216799 8.9246302 -0.40295056 1-methoxy-4-nitrobenzene 10.06411 10.079556 -0.015446667 4-methoxyphenethanol 8.9299002 9.3236132 -0.39371279 o-methoxyphenol 9.1351204 9.1098537 0.025265828 3-methoxyphenylalanine 9.4611301 9.2300978 0.23103207 B-(p-Methoxyphenyl)-alanine 8.9914398 8.9854794 0.0059602591 p-methoxyphenylalanine 9.5569897 9.2300978 0.32689208 para-methoxyphenylpiperazine9.0215302 8.7540321 0.26749828 (1R,2S,5R)-N-(4-Methoxypheny8.3667898 8.7763109 -0.40952048 1-(p-methoxyphenyl)-2-propan8.9801998 9.377059 -0.39685923 methoxypromazine 7.8327599 7.7962646 0.036495335 2-methoxy-1-propanol 10.41685 10.469888 -0.053037867 1-Methoxy-2-propanol acetate10.76754 10.576259 0.19128168 methsuximide 9.8666697 9.3827877 0.48388225 methyclothiazide 9.7711697 9.8220749 -0.05090462 N-methylacetanilide 9.1997995 9.2973099 -0.097510062 alpha-methylacetylfentanyl 9.0415096 9.0522337 -0.010723744 methylal 10.43011 10.693748 -0.2636379 N-Methylalanine 9.5159798 9.9001751 -0.38419521 methyl 4-aminobenzoate 8.9135599 9.0336008 -0.12004104 2-Methylaminoethylphosphonic9.32901 9.8526859 -0.52367592 methylaminoheptane 9.1790304 9.6644773 -0.48544767 beta-Methylamino-L-alanine 9.2685699 9.5891418 -0.32057199 4-methylaminorex 9.3083 9.167408 0.14089219 2-methylaniline 8.5516596 8.6854162 -0.13375655 3-methylaniline 8.5696898 8.6349268 -0.065237179 4-methylaniline 8.4659996 8.6349268 -0.16892718 N-methylaniline 8.5598202 8.6555243 -0.095704012 methyl anthranilate 8.83043 9.07691 -0.24648006 methyl apholate 8.4741297 8.4741297 -1.5059243E-10 4'-Methyl-a-pyrrolidinopropi8.8857002 9.2843914 -0.39869112 w-N-Methylarginine 12.08905 12.208209 -0.11915906 3-methylarsacetin 9.1928797 9.1660728 0.026806921 N-Methylasparagine 9.6787395 9.5555649 0.12317547 B-Methylaspartic acid 4.4723201 4.4722099 0.00011021228 N-methylbenzamide 9.3983698 9.4514208 -0.053050861 2-methylbenzeneethanol 9.3992205 9.4558468 -0.056626331 gamma-methylbenzenepentanol 9.3914604 9.3946133 -0.00315315 methyl benzoate 10.07299 9.9375048 0.13548484 alpha-methyl-1,3-benzodioxol9.1168404 9.119524 -0.0026839944 4-ethylbenzoic acid 9.8509502 9.6463184 0.20463167 methylbenzylpiperazine 9.0507402 8.9535856 0.097154282 methyl-bis-thiocyanate 10.0973 10.045191 0.052109577 B-Methyl-B-(methylene-cyclop9.7486 9.5321026 0.21649696 N-Methyl-B-methylleucine 9.4541397 9.4896288 -0.035489235 2-methyl-1,3-butanediol 10.75916 10.333417 0.42574331 2-methyl-1-butanol 11.03355 10.622963 0.41058716 3-methyl-1-butanol 10.79187 10.792999 -0.001128998 2-methylbutyl acetate 11.11895 10.69354 0.42541084 5-methyl-3-butyltetrahydropy10.7731 10.571978 0.20112269 methyl butyrate 11.17847 10.865837 0.31263298 2-methylbutyric acid 11.24104 10.946432 0.29460749 3-Methyf 8.9770203 9.1036396 -0.12661961 methylcamphenoate 10.92596 10.500149 0.42581156 methyl caprate 11.18153 10.708762 0.47276825 methyl caproate 11.17776 10.782413 0.39534792 methyl caprylate 11.17924 10.732208 0.44703141 N-methylcarfentanil 9.1546097 9.2479553 -0.093345262 methylchloroisothiazolinone 9.1692896 9.2412596 -0.071969263 methyl cinnamate 9.4737101 9.5933666 -0.11965694 methyl cyanoacrylate 11.17368 10.762838 0.41084161 methylcyclohexane 11.2602 10.783666 0.47653398 4-methylcyclohexanemethanol 10.87153 10.740567 0.13096312 N-(2-Methylcyclohexyl)-2,3,49.8798904 9.9523754 -0.072485253 methylcyclopentane 11.13624 10.798783 0.33745694 1-methylcyclopropene 9.5327501 9.6455364 -0.11278617 S-Methylcysteine sulfoxide 9.5165596 9.498271 0.018288665 2-methyldecanenitrile 11.41093 11.433681 -0.022751015 methyl-3,6-dichloro-o-anisat9.3990698 9.5227795 -0.1237095 2-methyl-4,5-dihydrofuran-3-8.4210396 9.3856621 -0.9646222 methyl dihydrojasmonate 10.51476 10.542926 -0.028165659 methyl di-t-butyl hydroxyhyd8.9107599 9.3439808 -0.43322065 1-methyldithio-2-propanone 9.4794302 9.2044134 0.27501678 3-methyldodecanonitrile 11.37378 11.416561 -0.042781346 methyldopa 8.9404497 9.0998411 -0.1593913 3-O-methyldopa 9.1287699 8.8383341 0.29043633 a-methyldopa 9.2496595 9.0998411 0.1498187 methyldymron 8.80159 8.6331081 0.16848147 4,4'-methylenebis(2-chloroph8.9540596 8.6129551 0.34110525 4,4'-methylenebis(2,6-di-ter8.6781301 9.2251081 -0.54697818 methylene bisphenyl diisocya9.0743504 9.195962 -0.12161189 methylene bis(thiocyanate) 10.10405 10.045191 0.058859576 methylene blue (oxidized for11.1924 10.715953 0.47644678 B-(Methylene-cyclopropyl)-B-9.7486 9.5321026 0.21649696 a-(Methylene-cyclopropyl) gl9.8223896 9.5405016 0.28188875 methylenedioxybenzylpiperazi8.9994898 9.0167227 -0.017232286 methylenedioxyethylamphetami8.8921804 8.9126253 -0.020445654 methylenedioxypyrovalerone 8.8027601 9.1282539 -0.32549399 4,4'-methylenediphenol 8.9616203 8.813283 0.14833705 1,1'-methylenedi(thiosemicar9.0004702 8.9332647 0.067205325 4-methyleneglutamic acid 9.9356699 9.9249172 0.010753111 g-Methyleneglutamic acid 4.5276098 4.5300875 -0.0024775986 g-Methyleneglutamine 9.8453999 9.650219 0.19518127 3-methylenenorleucine 9.73141 9.7401304 -0.008720452 N-methylephedrine 9.2916498 9.1909781 0.10067198 3,3'-(2-Methylethylene-1,2-d9.04953 8.9806271 0.068902917 methyl eugenol 9.46035 9.0257664 0.43458322 3-methylfentanyl 9.03584 8.9504986 0.085341685 beta-methylfentanyl 9.1255302 9.0081854 0.11734456 5-methylfurfurylmercaptan 8.9362097 8.9887218 -0.052511744 5-O-methylgenistein 8.87113 8.9572153 -0.086085543 g-methyl-g-hydroxyglutamic a8.35256 8.2486744 0.1038852 N-methylglucamine 9.1250296 10.149718 -1.0246879 g-methylglutamic acid 4.3059502 4.510004 -0.20405391 N-methylglycine 9.5757799 10.07838 -0.50259966 N-Methyl-g-methyl-alloisoleu9.4301596 9.4896288 -0.059469234 2-methyl-2-heptanol 11.1598 10.882381 0.27741873 3-methyl-3-heptanol 11.06798 10.996079 0.071900129 6-methyl-2-heptanol 10.94128 10.651172 0.29010868 5-methyl-3-heptanone oxime 10.02707 9.9259405 0.10112984 2-methyl-2-heptene 9.3776197 9.9512939 -0.57367426 6-Methyl-5-hepten-2-one 9.4247103 9.6624193 -0.23770928 methylhexanamine 9.3589697 9.8634596 -0.50448972 2-methylhexane 11.20679 10.964392 0.24239829 3-methylhexane 11.25078 10.715076 0.53570342 methyl hexanoate 11.18384 10.782413 0.40142792 2-methyl-hexanoic acid 11.22478 10.578602 0.64617783 2-methyl-2-hexanol 11.16045 10.919546 0.24090378 3-methyl-3-hexanol 11.07591 11.00478 0.071130425 5-methyl-2-hexanol 11.03748 10.690958 0.34652191 2-methyl-3-hexanone 10.46454 10.586626 -0.12208622 5-methyl-2-hexanone 10.66343 10.610072 0.053358018 1-Methylhistidine 9.3125601 9.2705631 0.041996934 1-Methyl-L-histidine 9.3389997 9.3822536 -0.043253429 1-methyl hydantoin 10.15929 10.09203 0.067260332 5-methyl hydantoin 10.23179 10.192377 0.039412472 1-methylimidazole 9.3644199 9.1361809 0.22823898 2-methylimidazole 9.2199097 9.0331097 0.18680026 4-methylimidazole 9.1770201 9.3591404 -0.18212041 1-methylindole 8.3188896 8.2772026 0.041687064 2-methylindole 8.4262104 8.5640545 -0.13784449 3-methylindole 8.2455997 8.481617 -0.23601745 5-methylindole 8.3157396 8.3732634 -0.057523303 7-methylindole 8.3307896 8.3906422 -0.059851807 methylionone 9.5845404 9.5831661 0.0013738163 methyl isoamyl ketone 10.66307 10.610072 0.052998018 methyl isobutyl ketone 10.63979 10.664648 -0.024857884 methyl isobutyrate 11.06968 10.533051 0.53662848 N-Methylisoleucine 9.55861 10.037783 -0.47917241 1-methyl-4-isopropylcyclohex10.79388 10.486927 0.30695301 3-methylisoquinoline 9.0422897 9.05301 -0.010719844 N-methylisothiazolone 9.06884 9.1309052 -0.062064853 beta-Methyllanthionine 9.6712904 9.4426537 0.22863615 methyl laurate 11.18262 10.707781 0.4748396 S-Methyl-L-cysteine 9.1535101 8.942112 0.21139841 alpha-methylleucine 9.8896399 10.42805 -0.53841013 N-Methylleucine 9.4025602 9.4440851 -0.041524999 N-Methyl-D-leucine 9.48561 9.4440851 0.041524999 epsilon-N-Methyllysine 12.06079 12.716634 -0.65584397 methyl methacrylate 10.50518 10.29751 0.20767011 methylmethaqualone 8.8972597 8.9359684 -0.038708564 S-Methylmethionine 6.9904599 9.0891943 -2.0987339 1-methyl-3-(4-methylpent-3-e9.3448296 9.1956329 0.14919709 1-Methyl-4-(4-methyl-3-pente9.3856897 9.1956329 0.19005708 N-Methyl-O-methylserine 9.6506901 9.8980274 -0.24733703 methyl myristate 11.18223 10.725903 0.45632777 1-methylnaphthalene 8.6858196 8.9990902 -0.31327054 2-methyl-1,5-naphthyridine 9.6233196 9.0880451 0.53527504 methyl N-methylanthranilate 9.0556602 9.1799459 -0.12428623 methyl 2-nonenoate 10.45673 10.422352 0.034378149 3-methyl-2-nonenoic acid 11.07188 10.791352 0.28052732 2-methyloctanenitrile 11.48965 11.466899 0.022751015 methyl octanoate 11.17725 10.732208 0.44504142 2-methyloctanoic acid 11.22486 10.536649 0.68821102 N-methylolacrylamide 9.3812599 9.5253916 -0.14413203 methylone 9.2857504 9.1978149 0.087934934 Methyl Orange 8.4387999 8.4024658 0.036334645 3-(3-methyl-1,2,4-oxadiazole9.9580097 9.4854307 0.47257912 4-methyl-1-oxaspiro[5.5]unde9.1708698 9.9916897 -0.82081974 methyl paraben 9.5326004 9.5576792 -0.025079399 methyl parathion 9.8201904 9.7767162 0.043473911 2-methylpentane 11.27121 11.023165 0.24804561 3-methylpentane 11.44587 11.023322 0.42254823 2-methyl-1,3-pentanediol 10.79301 10.606014 0.18699549 2-methyl-2,4-pentanediol 10.81812 10.68348 0.1346401 2-methyl-1-pentanol 11.03724 10.592845 0.4443948 2-methyl-2-pentanol 11.16713 10.964701 0.20242901 2-methyl-3-pentanol 10.86489 10.716717 0.14817363 3-methyl-2-pentanol 10.96493 10.620605 0.34432492 3-methyl-3-pentanol 11.0904 11.180242 -0.089842014 4-methyl-1-pentanol 10.85517 10.724899 0.13027096 4-methyl-2-pentanol 10.91176 10.741943 0.1698167 4-(4-Methyl-3-pentenyl)cyclo9.45296 9.3609705 0.091989562 methylphenidate 9.3840799 9.3665667 0.017512972 3-methylphenol 9.0921297 9.0836296 0.0085002771 (4-Methylphenoxy)acetaldehyd9.1767998 9.3508387 -0.17403843 methyl phenoxyacetate 9.3127403 9.6324062 -0.31966639 methyl phenylacetate 9.55756 9.8163071 -0.25874683 3-Methyl-4-phenylbutan-2-ol 9.2996101 9.4703093 -0.17069893 N-Methylphenylglycine 9.5279598 9.2555027 0.27245757 3-methyl-5-phenylhydantoin 9.9450903 9.503068 0.4420222 2-((4-Methylphenyl)methylene9.1950302 9.5896978 -0.39466754 3-Methyl-5-phenylpentane-1-n9.5687103 9.8575535 -0.28884375 2-Methyl-4-phenyl-1-pentanol9.5100098 9.364994 0.14501579 methyl phenyl sulfone 10.30161 9.8226776 0.47893211 methyl phenyl sulfoxide 9.1434097 9.30194 -0.15852956 N-Methylpicolinic acid 15.6369 15.61749 0.019409999 1-methylpiperidine 8.9849396 9.6801558 -0.69521528 2-methylpropane 11.60008 11.587145 0.012934902 (3Z)-1-[(2-methyl-2-propenyl9.7889099 9.5760593 0.21285023 methyl propionate 11.16732 10.603639 0.56368148 2-(2-Methylpropoxy)naphthale8.66605 8.7964869 -0.13043714 N,N'-bis(1-methylpropyl)-1,47.9714699 8.325119 -0.35364947 2-(1-methylpropyl)cyclohexan10.32389 10.511925 -0.18803506 methyl propyl ether 10.5748 10.766684 -0.19188389 2-Methyl-4-propyl-1,3-oxathi9.0668297 9.8546152 -0.78778481 4-Methyl-2-propyl-1,3-oxathi9.0671301 10.077168 -1.0100375 1-methylpyrazole 9.4336004 9.2087021 0.22489804 2-methylpyridine 9.8085098 9.5978632 0.210647 4-methylpyridine 10.05464 9.7960377 0.25860229 N-methylpyrrole 8.8714199 8.43297 0.43844992 N-methyl pyrrolidinone 9.5071898 9.851943 -0.34475294 2-methylresoricinol 9.0179996 8.9538021 0.064198211 methyl salicylate 9.3322697 9.6654015 -0.33313188 methylsamidorphan 11.88803 11.845931 0.04209891 B-Methylselenoalanine 8.8204002 9.3428841 -0.52248448 D-a-Methylserine 10.02973 10.253153 -0.22342239 alpha-methylstyrene 9.0646601 9.3010263 -0.23636602 N-methyltaurine 9.6657495 9.9955969 -0.32984674 17-methyltestosterone 10.04701 9.8385859 0.20842421 2-Methyltetrahydrofuran-3-th9.8139 9.8044796 0.0094205849 3-Methyl-1,4-thiazane-5-carb9.1781597 9.1781597 4.1744386E-12 4-methyl-5-thiazoleethanol 9.6513996 9.299839 0.35156098 methyl thiobutyrate 9.5745897 10.083136 -0.50854534 3-methylthiofentanyl 9.0237703 8.8474751 0.17629479 5-Methylthionorvaline 8.93468 8.8137512 0.12092873 1-(Methylthio)octan-3-one 8.9853897 9.5749512 -0.58956099 N-Methylthreonine 9.4561996 9.8734617 -0.41726175 methyltriacetoxysilane 10.33442 10.708465 -0.37404478 methyl 2,5,10-trimehtyl-2,5,9.3821802 8.8894777 0.49270201 2-methyl-3-{(1,7,7-trimethyl10.43873 10.50693 -0.06820038 3-methyl-4-(2,6,6-trimethyl-9.5219803 9.4563618 0.065618239 2-methyl-4-(2,2,3-trimethyl-9.2644196 9.7434721 -0.4790521 alpha-methyltryptamine 8.37535 8.3536358 0.021713763 N-methyltryptamine 8.3982401 8.3329773 0.065262884 N-Methyltryptophan 8.3589001 8.4094229 -0.050522454 N-methyltyramine 9.0138102 8.7487612 0.2650488 methyl D-tyrosinate 9.1367702 9.115593 0.021177331 a-methyl-m-tyrosine 9.2376099 9.115593 0.12201733 N-Methyltyrosine 9.1489401 8.8655062 0.28343344 O-Methyltyrosine 9.5011597 8.9854794 0.51568025 2-methylundecanal 10.51532 10.429719 0.085601136 N-Methylvaline 9.5513802 9.5590944 -0.0077144993 2-methyl-5-vinylpyrazine 9.5311298 9.4357328 0.095396973 methyprylon 9.7032299 10.036946 -0.33371666 metipranolol 8.8069401 9.0613985 -0.25445816 metizoline 8.8455496 8.6356945 0.20985579 metobromuron 9.3014002 9.1824474 0.11895298 metochalcone 8.8600302 8.8973856 -0.037355233 metoclopramide 8.7922297 8.404479 0.38775089 metofluthrin 9.6592999 9.7005672 -0.041267239 metofoline 9.0932102 8.7926035 0.3006061 metolachlor 9.4291201 9.3370237 0.092096187 metolcarb 9.4801598 9.2215624 0.25859755 metominostrobin 9.2706404 8.9999371 0.27070335 metopimazine 8.2347603 8.4751616 -0.24040134 metopon 8.7786102 8.9363413 -0.15773159 metoprolol 8.9288702 9.1150837 -0.18621387 metosulam 9.1399202 9.2347431 -0.094822787 metoxadiazone 9.11339 9.4716473 -0.35825709 metoxuron 8.66786 8.6733971 -0.0055370685 metrafenone 9.2072201 9.4425631 -0.23534314 metribuzin 9.2766199 9.4973078 -0.22068788 metronidazole 10.2622 9.7466736 0.51552624 metsulfovax 8.8976698 8.6338596 0.2638106 metsulfuron-methyl 9.6523199 9.5684118 0.083908126 meturedepa 9.6156597 9.7841425 -0.16848232 metyrapone 9.9041405 9.6751432 0.22899699 mevaldic acid 11.25151 10.836086 0.41542411 mevalonic acid 10.82889 10.545397 0.28349277 mevastatin 9.0370102 9.3812714 -0.34426123 mevinphos 9.6195898 10.145835 -0.52624464 mexacarbate 9.0323095 8.6098928 0.42241719 mexazolam 8.8741999 8.8069115 0.067288674 mexilitene hydrochloride 8.7966003 8.9953012 -0.19870164 MGK Repellent 11 9.7943201 9.6106462 0.18367396 mibampator 8.9921703 8.8531885 0.13898167 miconazole 9.4338703 9.2300186 0.20385142 midazolam 9.2309704 9.012867 0.21810262 midomafetamine 8.9389496 8.9606047 -0.021654848 migalastat 9.5367403 9.8419666 -0.3052268 miglitol 9.4177303 9.8674202 -0.44969016 miglustat 9.5204601 9.9741602 -0.45370024 milacemide 9.4839201 9.4490471 0.034873176 milnacipran 9.3242798 9.1896362 0.13464408 milneb 8.9650097 8.7014256 0.26358402 miltefosine 8.3668098 8.4454241 -0.078614071 milveterol 8.4981899 8.6343231 -0.1361334 mimosine 9.0264301 9.9807291 -0.95429945 minaline 9.4580698 9.1683474 0.28972298 minaprine 8.6558599 8.7794495 -0.12358917 mineral oil 11.26091 10.9245 0.33641061 minoxidil 8.2962599 8.2155247 0.080735669 miokinine 12.22329 12.864559 -0.64126885 mirabegron 8.6669703 8.7715626 -0.1045924 mirex 10.49796 10.525371 -0.027410725 mirfentanil 9.1455698 9.1601553 -0.014585045 miroprofen 8.8003302 8.6609459 0.13938449 misoprostol 9.8462896 10.162671 -0.31638092 mitiglinide 9.3564596 9.6269789 -0.27051875 mitoguazone 8.8147697 9.2269545 -0.41218421 mitolactol 10.641 10.933783 -0.29278266 mitotane 9.4113197 9.3135414 0.097778626 mitragynine 7.9530201 8.2474213 -0.29440171 mitratapide 8.6084204 8.6060858 0.0023338872 mizoribine 9.2834501 9.4361229 -0.15267263 MKC-442 9.3769197 9.2613392 0.11558036 MNAF 8.9299297 9.0509529 -0.12102282 mocetinostat 8.5264902 8.3961391 0.13035119 moclobemide 9.3509598 9.2217064 0.1292536 mofegiline 9.4678202 9.4710608 -0.0032407886 mofezolac 9.0727701 8.8089361 0.26383346 molinate 9.3520699 9.3409233 0.011146987 molindone 8.78899 8.6412563 0.1477333 momelotinib 8.21276 8.1905642 0.022195483 MON 8000 17.98592 17.98592 1.4457768E-10 monalide 8.8023396 8.805625 -0.0032847496 monisouron 9.35641 9.0968781 0.25953168 monocrotophos 9.2688103 9.5744104 -0.30560026 monolaurin 11.0435 10.694805 0.3486948 monolinuron 8.8276196 8.9692955 -0.14167565 monopotassium phosphate 8.4198904 8.2543459 0.16554396 monosodium D-glucoheptonate 9.5727596 9.4613895 0.11137026 monosodium glutamate 6.5995002 6.5995002 8.6863849E-13 monosodium phosphate 9.0487099 8.3097019 0.73900831 monuron 9.00805 8.8243256 0.18372421 moquizone 8.8599701 8.9941883 -0.13421814 morantel 8.6652002 8.6133938 0.051806297 morclofone 9.1594105 9.2287521 -0.069342114 morin 8.5501003 8.8341331 -0.28403339 morindone 9.2963896 8.7929831 0.50340706 moronic acid 9.7392502 9.7832355 -0.043985885 moroxydine 9.4686098 9.1003599 0.36824962 morphazinamide 9.4640903 9.631629 -0.16753903 morphenol 8.37325 8.1211386 0.25211141 morpheridine 9.2188997 9.145751 0.073148869 morphinan 9.1226597 9.2727222 -0.15006216 morpholine 9.4504004 10.002666 -0.55226612 7-morpholinomethyltheophylli9.0191402 8.9724684 0.046671368 morphothebaine 8.5564404 8.2496357 0.30680394 morphothion 9.58253 9.5859194 -0.0033889464 morquizone 8.7940998 8.9941883 -0.20008814 morzid 9.1527796 8.8646059 0.28817371 moss naphthaleneol 10.59092 10.26812 0.32280058 motesanib 8.4724102 8.3983364 0.074073516 motolimod 8.76719 8.8401985 -0.073008254 motretinide 8.3799496 8.176755 0.2031949 moveltipril 9.6066198 9.1567698 0.44985038 moxastine 9.1510696 8.9572744 0.19379549 moxisylyte 8.9313202 9.049675 -0.11835462 moxonidine 9.0913095 8.7723408 0.31896925 MPTP 8.7981997 8.8446331 -0.046432756 MSMA 14.58498 11.270812 3.3141675 mubritinib 9.2390699 9.5337305 -0.29466066 mucochloric acid 9.6816998 10.439157 -0.75745791 mucochloric anhydride 9.8088398 9.9228249 -0.11398513 muconic acid 10.34985 10.332491 0.017358933 muguet butanal 9.7645397 9.3468399 0.41770011 alpha-multistriatin 10.46066 10.506128 -0.045468364 muramic acid 9.6223803 10.091453 -0.46907255 murexine 11.12855 11.321018 -0.19246794 muscarine 14.02486 13.884042 0.14081776 muscazone 9.3325901 9.9388361 -0.60624593 muscimol 9.5123901 9.9006586 -0.38826862 muscone 10.49268 10.803113 -0.31043273 mustard gas 9.3442802 9.5281096 -0.18382956 muzolimine 9.0030098 9.0885286 -0.085518755 Myacide SP 9.1230297 9.4766035 -0.35357314 mycaminose 9.1487303 9.7106266 -0.56189674 mycarose 10.53738 10.591825 -0.054444414 mycelianamide 9.0879402 8.9210129 0.16692758 mycenyl acetate 9.4388304 10.087214 -0.64838326 myclobutanil 9.7361898 9.631938 0.10425157 myclozolin 9.51898 9.4157333 0.10324705 mycobacidin 9.4524603 9.4949112 -0.042451356 mycophenolate mofetil 9.3495197 9.5122175 -0.16269736 mycophenolic acid 9.43472 9.5984297 -0.16371007 mycosamine 9.8467102 10.15562 -0.30890924 myrac aldehyde 9.4254198 9.3609705 0.064449564 myraldyl acetate 9.3718395 9.4078016 -0.035961434 myrcene 9.3678198 9.2804985 0.087321378 myrcenol 9.4718399 10.12832 -0.65647936 myrecetin 8.67733 8.5362329 0.14109704 myricetin 8.5171099 8.5362329 -0.01912296 myristic acid 11.30757 10.73973 0.56784004 myristicin 8.9673996 8.8281584 0.13924155 myristyl alcohol 10.8962 10.552773 0.34342614 myristyl dimethyl amine oxid9.9446096 9.7900648 0.15454555 myristyl lactate 11.08295 10.785488 0.29746166 myrophine 8.7869902 8.5537052 0.23328507 myrtecaine 9.1059303 9.3855953 -0.2796655 mytatrienediol 9.24193 9.5986595 -0.35672903 myxin 7.7058702 8.7032166 -0.9973467 nabam 8.0197601 8.0197601 5.9459992E-11 nabilone 9.0378399 9.196311 -0.15847096 nabumetone 8.6150503 8.9753857 -0.36033577 nacubactam 9.5370197 9.5991573 -0.062137388 NAD 8.8399897 8.8399897 4.2082071E-10 nadifloxacin 8.83953 8.9416456 -0.10211572 nadolol 9.1192904 9.0993776 0.019912144 naftifine 8.0634604 8.5736952 -0.51023537 naled 10.06066 10.385902 -0.32524288 nalidixic acid 8.95854 9.4262505 -0.46771038 naloxegol 8.7027502 8.6081142 0.094636157 naloxone 9.0826502 9.1719561 -0.089306384 naltrexone 8.71663 9.1641188 -0.44748884 naluzotan 8.3058701 8.4355049 -0.12963466 naminidil 9.2276096 9.0903702 0.13723983 nandrolone 10.1066 9.9874353 0.11916476 naphthalene 8.8382797 9.0684834 -0.23020317 naphthaleneacetamide 8.7661505 9.0278969 -0.26174709 1-naphthaleneacetic acid 8.9267597 9.3258648 -0.39910451 2-naphthaleneacetic acid 8.9009705 9.2788925 -0.37792239 1-naphthalen-2-ylethanol 8.7705002 9.0579863 -0.28748634 naphthenic acid 11.28721 10.618464 0.66874546 1-naphthol 8.5437803 8.8361216 -0.29234144 2-naphthol 8.7156401 8.7535686 -0.037929114 Naphthol Yellow S 7.6968999 7.7629328 -0.06603279 2-naphthoxyacetic acid 8.6841602 9.1185675 -0.43440756 1-naphthylamine 8.2672501 8.3668699 -0.099619761 2-naphthylamine 8.3710604 8.3494072 0.02165276 1-(naphthyl)ethan-1-one 9.0680704 9.2777653 -0.20969492 beta-naphthyl methyl ether 8.6084204 8.8866949 -0.27827474 naphyrone 8.9325199 9.1659117 -0.23339206 naproanilide 8.8701 8.4722719 0.39782831 napropamide 8.7587996 8.8871126 -0.12831238 naproxcinod 8.7992096 8.7633333 0.035877116 naproxen 8.9758301 8.9354267 0.04040347 naproxen etemesil 8.8194599 9.0334778 -0.21401826 naptalam 8.5882597 8.7980433 -0.20978335 naphthoquinone 10.28995 9.6759214 0.61402899 (2-napthyloxy)acetic acid 9.0128698 9.1021557 -0.089285836 naratriptan 8.4359703 8.4655972 -0.02962715 narcobarbital 10.31034 10.167939 0.14240126 naringenin 9.23318 9.1878529 0.04532754 narlaprevir 9.5047598 9.637661 -0.13290064 naronapride 8.7017403 8.7543011 -0.05256103 nateglinide 9.6952 9.451066 0.2441339 Natural Brown 1 8.5612898 8.6852989 -0.12400882 navarixin 8.0081196 8.6616058 -0.65348542 naveglitazar 8.7305803 9.0142822 -0.28370196 navoximod 8.8622503 9.2846642 -0.42241436 naxifylline 9.0245199 8.9148855 0.10963404 NC-324 9.8707504 9.8566046 0.014145376 NC-9634 9.26548 9.0507412 0.21473908 2,6-dimethyl-4-heptylphenol 8.9854202 9.1582241 -0.17280374 nealbarbital 10.51721 10.445513 0.071697041 nebivolol 9.0781898 8.9635258 0.11466435 nebracetam 9.4637299 9.1789827 0.2847468 neburon 9.0106401 8.6969786 0.31366131 necrosulfonamide 9.08675 9.2624531 -0.17570338 nefiracetam 9.3207903 8.8671646 0.45362547 nefopam 9.1802597 8.9953508 0.18490879 nelotanserin 8.7244797 8.857583 -0.13310274 nemifitide 8.7171803 9.0388803 -0.32170066 nemiralisib 8.3079395 8.0856161 0.22232372 nemonapride 8.9470701 8.6403465 0.30672377 nemorosone 9.5373297 9.6749001 -0.13757071 neoflavan 9.0105896 8.9207869 0.089802817 neoflavone 9.4164696 9.1045055 0.31196484 neoglucobrassicin 8.8909702 8.7908421 0.10012756 neostigmine bromide 8.4077501 8.292923 0.11482716 nepetalactone 9.5562897 10.010864 -0.45457384 neral 9.7125597 9.5073519 0.20520821 neratinib 8.3926201 8.0787697 0.31385046 neridronate 9.3250198 9.5137491 -0.18872868 nerol 9.7957602 9.5645924 0.231168 nerolidol 9.2315798 9.3943653 -0.16278557 nerone 9.4556599 9.7468529 -0.29119304 neryl acetate 9.4687595 9.6450777 -0.17631784 neryl formate 9.4366598 9.6177015 -0.18104112 nesbuvir 9.11203 8.7083941 0.40363568 nesterone 10.11835 9.9545765 0.16377336 N,N'-ethylene distearylamide9.5857096 8.93894 0.6467697 netobimin 9.3710299 9.5249224 -0.15389229 netupitant 8.7126398 9.1427031 -0.4300634 nevanimibe 8.7040501 8.9454803 -0.24143076 nicametate 9.2646198 9.3004799 -0.035859928 nicarbazin 9.6848602 10.11207 -0.42721021 niclosamide 9.5139599 9.4259729 0.087987527 nicosulfuron 9.1954803 9.2880306 -0.092550859 nicotianamine 9.6099396 9.5444994 0.065440655 nicotianine 13.01093 13.01093 0.000000017147112 nicotinamide 9.8959198 9.7875557 0.10836384 nicotine 9.2315798 9.2737598 -0.042180274 nicotinic acid [niacin] 10.50579 10.189478 0.31631178 nidroxyzone 9.5142899 9.4628983 0.051392067 nifedipine 9.0258703 9.3836498 -0.35777992 nifenazone 9.0088396 9.0973091 -0.088468663 nifluridide 9.7885303 9.5385904 0.24993989 nifuradene 9.5054598 9.6266069 -0.12114698 nifuraldezone 9.5103197 9.7357893 -0.22546943 nifuratel 9.4741802 9.3658466 0.10833303 nifurfoline 9.83564 9.518692 0.31694835 nifuroxazide 9.3891201 9.1937122 0.19540754 nifuroxime 10.07252 9.8833971 0.18912248 nifurpirinol 9.3201504 9.4900665 -0.16991644 nifurprazine 8.9890003 9.277729 -0.28872907 nifurtimox 9.5907202 9.9550972 -0.36437684 nifurtoinol 9.9198103 9.786828 0.13298234 nifurzide 9.3645897 9.8109684 -0.44637847 nihydrazone 9.4055595 9.5927725 -0.18721223 nikethamide 9.4764204 9.6967564 -0.22033602 nilotinib 8.6961403 8.429081 0.26705939 nilutamide 10.16202 10.081715 0.080304958 nimorazole 9.9747601 9.6202345 0.35452557 nimustine 9.4214001 9.6005535 -0.17915316 nintedanib 8.2248602 8.4779968 -0.2531369 nipecotic acid 9.3712797 9.9152708 -0.54399043 niperotidine 9.1719303 9.0205975 0.15133277 nipyraclofen 9.8693304 9.6590738 0.21025649 niraparib 8.8670101 8.6460733 0.22093622 niridazole 9.6327105 9.7508745 -0.1181649 nirogacestat 8.3923597 8.9919138 -0.59955412 nitazoxanide 9.7010403 9.8132715 -0.11223178 nitenpyram 9.8138599 9.6478291 0.16603138 nithiazide 9.6778097 9.983881 -0.30607134 nithiazine 9.5146399 9.3975639 0.11707605 nitisinone 11.21099 11.004835 0.20615506 nitracrine 9.0121298 8.8620453 0.15008441 nitralin 10.11414 10.362269 -0.24812946 nitramine 11.64013 11.334887 0.30524346 nitrapyrin 9.9010096 10.017848 -0.11683828 nitrazepam 9.7911196 9.6196814 0.17143857 nitrefazole 10.54295 10.140339 0.40261066 nitrendipine 9.01439 9.4904175 -0.47602782 nitrilacarb 9.8975601 9.6005545 0.29700595 2-nitroaniline 9.1576204 9.5651636 -0.40754315 3-nitroaniline 9.2833204 9.4754896 -0.19216934 4-nitroaniline 9.4246502 9.4754896 -0.050839342 nitrobenzene 10.60364 10.367035 0.23660529 2-nitrobenzoic acid 10.89378 10.427682 0.46609816 3-nitrobenzoic acid 10.95011 10.6127 0.33741018 4-nitrobenzoic acid 10.88505 10.6127 0.27235019 2-nitrobenzonitrile 10.77601 10.490889 0.28512093 1-nitrobutane 12.00213 11.896065 0.10606523 1-nitro-1-butene 11.361 10.053992 1.3070077 nitrocyclopentane 11.75456 11.593498 0.16106191 nitrodan 9.5502796 9.6192493 -0.068969019 nitrofen 9.6771297 9.7064924 -0.029362857 nitrofurantoin 9.93363 10.02275 -0.089120016 nitrofurazone 9.3600302 9.5978441 -0.23781413 nitroglycerine 12.10684 11.968375 0.13846511 nitroguanidine 10.28689 9.827363 0.4595274 1-nitrohexane 11.70073 11.759599 -0.058868762 nitromersol 8.5103302 8.5103302 -5.404921E-11 nitromide 10.5079 10.906301 -0.39840019 nitrooxypropanol 11.25714 11.107919 0.14922144 1-nitropentane 11.83918 11.823113 0.016066249 2-nitrophenol 9.9047804 9.961832 -0.057051823 3-nitrophenol 9.9980297 9.8700409 0.12798956 4-nitrophenol 10.16788 9.8700409 0.29783955 2-nitro-p-phenylenediamine 8.6058598 8.7549715 -0.14911196 5'-nitro-2'-propoxyacetanild9.43964 9.6536398 -0.214 4-nitro-1-propoxysulfinylmet9.64571 9.8510857 -0.205376 4-nitro-1-propoxy-3-sulfonyl10.16722 9.9420671 0.22515282 4-nitro-1-propoxy-3-sulfonyl10.15323 10.040932 0.11229838 4-nitro-1-propoxythiomethylb9.1970396 9.338254 -0.14121409 1-nitrosopyrrolidine 9.7531004 9.6021099 0.15099023 nitrostyrene 9.8906603 9.6866341 0.20402609 trans-beta-nitrostyrene 10.04881 9.6171837 0.4316265 nitrosylsulfuric acid 12.20571 11.844349 0.3613615 nitrothal isopropyl 11.04551 10.749016 0.29649439 2-nitrotoluene 10.27895 10.006014 0.27293572 nitroxoline 9.5960703 9.4597483 0.13632146 nivocasan 9.3774796 10.161433 -0.78395331 nizatidine 9.3758698 9.1604681 0.21540231 nizofenone 9.3604698 9.7972956 -0.43682528 NK 412 10.57229 9.8161077 0.75618196 NMT 8.9018698 9.0393963 -0.13752602 nocodazole 9.0024204 8.999629 0.0027906753 nomegestrol 9.2883196 9.5417633 -0.253443 nomegestrol acetate 9.4444599 9.6212416 -0.17678182 nomifensine 8.5355196 8.4215727 0.11394725 nonacosane 11.23827 11.373152 -0.13488154 2-trans-6-cis-nonadienal 10.0722 9.6034126 0.46878743 trans-2-cis-6-nonadien-1-ol 9.7746401 9.4778757 0.29676458 (2E,6Z)-nona-2,6-dien-1-ol 9.7346601 9.4778757 0.25678459 (2E,6Z)-nona-2,6-dienyl acet9.8733196 9.4092093 0.46411082 nonanal 10.6312 10.5844 0.04679966 nonanediyl diacetate 11.0419 10.863307 0.17859277 nonane-1,3-diyl diacetate 11.18101 10.815046 0.36596361 n-nonane 11.27639 10.821215 0.45517531 1-nonanol 10.89275 10.51669 0.37606022 2-nonenal 10.40712 10.292904 0.11421606 nonoxynol-1 8.9431896 9.160778 -0.21758804 nonoxynol-10 carboxylic acid8.9474802 8.7230444 0.22443518 nonoxynol-5 carboxylic acid 9.01264 9.3229618 -0.31032151 nonoxynol-10 phosphate 8.9759598 8.8579464 0.118014 nonyl 4-aminobenzoate 8.9160299 9.1988945 -0.28286421 2-nonylphenol 9.0770302 9.3374081 -0.26037759 4-nonylphenol 8.93221 9.3256245 -0.39341408 4-nonylphenol 8.93221 9.3256245 -0.39341408 2-(4-nonylphenoxy)ethanol 8.8979502 9.724637 -0.82668746 norbornane 11.04016 10.245459 0.79470187 norcamphor 10.3857 10.416567 -0.030866796 norcarane 10.74666 10.250978 0.49568143 nordazepam 9.0883198 8.9911003 0.097219639 norepinephrine 8.8410101 8.8973408 -0.056331165 norfloxacin 8.8207502 8.9691486 -0.14839876 noribogaine 8.1982698 8.255827 -0.057557087 L-norleucine 9.9546204 9.8788462 0.075774044 norlevorphanol 8.86479 8.942873 -0.078083165 norlimbanol 10.83163 10.698231 0.13339905 normethadone 9.0149698 8.9965057 0.018464029 norpatchoulenol 9.2155895 9.87325 -0.65765977 norpethidine 9.4219704 9.3747053 0.047265023 norspermidine 9.2119303 9.2340679 -0.022137968 nortilidine 9.2065802 9.1691246 0.037454989 nortriptyline 9.1028996 8.6586018 0.44429791 noruron 9.5158396 9.350523 0.16531697 L-norvaline 9.8298998 9.9378881 -0.10798808 noscapine 8.8486004 9.2667446 -0.41814417 novaluron 9.4866199 9.2498074 0.23681228 novembichin 9.81287 9.9774647 -0.16459511 noviflumuron 9.5683899 9.3801498 0.1882403 novonal 9.6819897 9.3795013 0.30248898 noxiptilin 9.1627798 8.7999973 0.36278233 n-pentyl 4-aminobenzoate 8.91224 9.1740618 -0.26182169 NPPS 10.3142 10.462998 -0.14879847 NTN 28621 9.4101 8.9739695 0.43613011 nuarimol 9.7780399 9.5873184 0.19072121 obatoclax 8.0746298 8.119894 -0.045264009 obeticholic acid 10.44222 9.7919188 0.65030098 ocfentanil 9.1903801 9.3251686 -0.13478892 ochratoxin A 9.4599304 9.5943575 -0.13442761 ochratoxin B 9.6381702 9.5756369 0.062533341 ochratoxin C 9.4449301 9.4972248 -0.052294623 alpha-ocimene 9.1022196 9.2745409 -0.17232078 beta-ocimene 9.0415697 9.0416851 -0.00011483232 cis-beta-ocimene 9.1002998 9.0416851 0.058615167 trans-ß-ocimene 9.0896597 9.0416851 0.047975168 oclacitinib 8.5974598 8.8525391 -0.25507918 octabenzone 9.2565603 9.0283527 0.2282069 octachloro-dibenzo-p-dioxin 9.0052099 8.9420338 0.063175954 octachlorodipropyl ether 10.58616 10.54264 0.043520432 octachloronaphthalene 8.7642899 8.7927704 -0.028480344 n-octacosanol 10.89 11.142557 -0.25255695 octadecane 11.26375 10.9245 0.33925059 5-octadecenoic acid 9.7167397 10.481988 -0.76524764 1,3-octadiene 9.1478395 9.5204725 -0.37263238 octafluorocyclobutane 13.18627 13.284931 -0.098660856 1,2,3,4,4a,7,8,8a-octahydro-9.5438499 9.3422337 0.20161621 octahydrocoumarin 10.85319 10.761016 0.0921745 1,2,3,4,5,6,7,8-Octahydro-5,9.3154697 9.5973835 -0.28191325 octahydro-4,7-methano-1H-ind10.46705 10.137884 0.32916629 octahydro-4,7-methano-1H-ind10.79047 10.236471 0.55399895 1,2,3,4,4a,5,6,7-Octahydro-29.5723495 9.9752979 -0.40294775 octamethylcyclotetrasiloxane8.5241098 8.5470104 -0.022900824 octamoxin 8.90734 9.2138662 -0.3065263 octanal 10.62984 10.598796 0.031044077 1,2-octanediol 10.96149 10.600592 0.36089861 n-octane 11.27194 10.83603 0.43591037 octanoic acid 11.3596 10.784005 0.57559478 1-octanol 10.89335 10.527494 0.36585531 2-octanol 11.03816 10.557262 0.48089787 3-octanol 10.9843 10.869633 0.11466768 4-octanol 10.95564 10.927375 0.028265538 2-octanone 10.67935 10.52304 0.15630998 3-octanone 10.56912 10.600894 -0.031774156 4-octanone 10.57862 10.893152 -0.31453237 2-octenal 10.40419 10.303335 0.10085465 1-octene 10.03499 10.280184 -0.24519339 1-octen-3-ol 10.23981 10.447284 -0.20747413 oct-1-en-3-one 10.63511 10.424055 0.21105467 oct-5-en-2-one 9.6606998 9.7920408 -0.13134123 (Z)-5-octenyl acetate 9.7173901 9.7495842 -0.032194212 octocrylene 9.8079901 10.089764 -0.28177321 octopamine 9.0688696 8.8986502 0.17022008 D-octopine 9.3825998 9.3017282 0.080871709 octoxynol-1 9.2894096 9.3118563 -0.022446698 octyl acetate 11.24774 10.748298 0.49944237 n-octylamine 9.3950396 9.7042122 -0.30917186 octyl 4-aminobenzoate 8.9082499 9.188098 -0.27984837 N-octyl bicycloheptene dicar9.9207401 9.8141851 0.10655446 octyl cocoate 11.14481 10.803217 0.34159353 octyl cyanoacrylate 11.15009 10.886206 0.26388413 octyldodecanol 10.80948 10.803748 0.0057319514 n-octyl isothiazalone 9.0359097 9.2572117 -0.22130175 octyl methoxycinnamate 9.0243397 9.5230036 -0.49866393 N-octylmorpholine 9.2361603 9.8298578 -0.59369791 octyl nitrate 11.52625 11.656365 -0.13011543 octyl phenyl ether 9.0732403 9.6876211 -0.61438155 octylphosphonic acid 10.58969 10.467805 0.12188472 N-octyl-1,3-propanediamine 9.1950703 9.0925341 0.10253622 n-octyl pyrrolidinone 9.4630804 9.8179989 -0.35491905 octyl salicylate 9.3198299 9.6224585 -0.30262855 2-(octylthio)ethanol 8.9363499 9.7143707 -0.77802074 octyltriethoxysilane 9.66891 10.05582 -0.3869105 odancatib 9.67834 9.4873552 0.19098487 odelepran 9.4321299 9.0556593 0.37647071 ofloxacin 8.9289198 8.8163414 0.11257836 oglufanide disodium 7.68576 7.4154673 0.27029273 ohmefentanyl 8.6299801 8.9763098 -0.34633005 Oil Red O 8.5327196 8.5803719 -0.047651649 Oil Yellow DE 8.4695597 8.7611341 -0.29157451 olanexidine 8.8554602 8.6651402 0.19031948 olanzapine 8.2390003 8.5349998 -0.29600024 olaparib 9.2484398 9.1105251 0.13791461 (S)-Olean 10.60264 10.686127 -0.083486266 oleandrin 10.50856 9.7317677 0.77679241 oleanolic acid 9.3872099 9.9504824 -0.56327248 oleocanthal 9.2173004 9.6234713 -0.40617114 oleoylethanolamide 9.5420799 9.6068525 -0.064772651 oliceridine 8.9771996 8.823842 0.15335792 olmutinib 8.1227303 8.3555975 -0.23286748 olodaterol 8.7898397 8.645504 0.14433579 olsalazine 9.1350403 8.9339132 0.20112652 olumacostat glasaretil 9.1509199 9.5502586 -0.39933881 omacetaxane mepesuccinate 8.7300396 8.7692461 -0.039206017 omarigliptin 9.1957703 9.5183325 -0.32256207 omaveloxolone 10.03996 10.054843 -0.014882985 omecamtiv mecarbil 8.8438101 8.6606894 0.183121 omeprazole 8.7794704 8.5858145 0.1936557 omethoate 9.5297298 9.2887583 0.24097173 omoconazole 9.14079 8.8452578 0.29553235 omtriptolide sodium 8.7991199 9.0483561 -0.24923624 opiniazide 8.7839699 9.3084249 -0.52445459 oprozomib 9.6161699 9.6369123 -0.020741981 Orange II 8.4001198 8.1688328 0.23128735 Orange 5 9.15693 9.2471647 -0.090234295 orantinib 8.2864704 8.2179127 0.068557702 orbencarb 9.3309803 8.8580885 0.47289199 orellanine 8.5680799 8.7938633 -0.22578326 orfralure 9.8875904 10.384711 -0.49712116 ormeloxifene 8.7706003 8.8761091 -0.10550959 ornidazole 10.14909 9.9035301 0.24555953 ornithine 9.5671301 9.3987598 0.16837038 ornithine betaine 9.0131903 8.5846443 0.42854539 L-ornithine L-aspartate 8.99123 9.1125813 -0.12135168 ornithine phenylacetate 9.5854902 9.2776136 0.30787602 orphenadrine 9.15518 8.9533319 0.20184804 2(1)-orris butanal 9.4433699 9.8188114 -0.37544146 orthosulfamuron 9.2771397 9.5966816 -0.31954139 orvepitant 9.1630001 9.361989 -0.19898893 oryctalure 11.14946 10.700415 0.44904551 orysastrobin 9.5703001 9.3447828 0.22551677 oryzalin 10.09648 10.140435 -0.043955665 osalmid 8.2192297 8.6000481 -0.38081798 osemozotan 8.7100601 8.7705917 -0.060531605 osilodrostat 9.2643204 9.6302767 -0.36595652 osimertinib 8.07722 8.3336201 -0.2563999 ospemifene 8.8429203 8.828064 0.014856407 osthol 9.1309004 9.0519495 0.078950658 ostramone 9.5906096 9.9363489 -0.34573889 otenabant 8.6065702 8.7253714 -0.11880116 ouabain 10.43572 9.9766235 0.45909676 ovalene 7.4663901 7.5279613 -0.061571229 oxabetrinil 9.8121901 9.7993956 0.012794674 oxabolone 9.37924 9.5178165 -0.13857663 oxacillin 9.5836897 9.4929008 0.090788856 oxadixyl 9.72013 9.8983459 -0.17821613 oxaflozane 9.3559198 9.6360168 -0.28009641 oxalacetic acid 11.37821 11.186413 0.19179679 oxalic anhydride 11.20845 11.361178 -0.15272842 oxalosuccinic acid 11.45545 11.412338 0.043111559 B-N-oxalyl-a,B-diaminopropio10.01655 10.158002 -0.14145151 4-oxalysine 9.6350899 9.5157871 0.11930288 oxametacin 8.6083899 8.6007757 0.0076146782 oxamyl 9.4334497 9.3569069 0.076543063 oxanamide 9.8261805 10.042201 -0.21602057 oxaprozin 8.84233 9.1835814 -0.34125102 oxasulfuron 9.1884804 9.4107008 -0.222221 oxathiapiprolin 9.52775 9.6333876 -0.10563727 oxatomide 8.6785898 8.7839432 -0.10535356 oxaziclomefone 8.9008303 8.7021227 0.19870724 oxaziridine 10.94485 10.221831 0.72301853 oxazolam 8.8507004 8.7782803 0.072419569 oxazole 10.02729 9.9529219 0.074367791 oxazolidine 9.6768398 10.018765 -0.34192526 1,3-oxazolidine-2,4-dione 10.91764 10.8857 0.031939331 2-oxazolidone 9.95854 10.571968 -0.61342782 2(3H)-oxazolone 9.23522 9.9097958 -0.67457545 oxcarbazepine 8.6791401 8.9858227 -0.30668288 oxepane 10.54743 10.645452 -0.098022252 oxepine 8.2443895 8.7747726 -0.53038299 oxetane 10.50239 10.613977 -0.11158787 oxetene 9.7232904 9.8849487 -0.16165899 oxibendazole 8.7767401 8.8446522 -0.067911759 oxidopamine 8.6184797 8.4413223 0.17715719 oxilorphan 8.9503698 8.9846258 -0.034255948 oxindole 8.8158302 9.0644741 -0.24864443 B-3-oxindolylalanine 8.8768501 9.3485518 -0.47170153 oxiracetam 9.7027798 9.7605581 -0.05777818 oxirane 11.33477 10.627255 0.70751417 oxirene 9.4395103 9.9484882 -0.50897807 oxitriptan 8.4806404 8.5039692 -0.023329038 8-oxoguanine 8.4830904 8.4429989 0.040090989 oxolinic acid 8.7617998 9.3645849 -0.60278451 5-oxoproline 9.8856697 10.159688 -0.2740182 oxpoconazole 9.2157402 9.5122547 -0.29651472 oxprenolol 9.2831297 8.8933773 0.38975307 oxprenolol 9.0887804 8.8978252 0.19095433 oxybenzone 9.2729998 9.1402588 0.13274117 2,2-oxybis-ethanol dibenzoat10.11371 9.8437738 0.2699357 oxycarboxin 9.1612396 9.4767513 -0.31551158 oxydemeton methyl 9.4323502 9.3330221 0.099328026 oxydeprofos 9.3964596 9.1872559 0.20920408 4,4'-oxydi-2-butanol 10.60093 10.392735 0.20819546 1,1'-oxydi-2-propanol 10.59001 10.420884 0.1691255 oxydisulfoton 9.2751102 9.2677126 0.0073970733 oxyfluorfen 10.09362 9.6490154 0.44460464 oxymatrine 9.4330997 9.4195747 0.013525583 oxymetazoline 8.8898401 8.8431873 0.046652928 oxymorphone 8.9176397 9.1389999 -0.22135992 oxypendyl 7.9052 8.1269178 -0.22171827 oxyphenisatine 8.7972498 8.7326937 0.064556196 oxypurinol 9.5840197 9.1010475 0.48297265 oxythioquinox 9.5202398 9.0821161 0.4381243 PA-824 9.8783703 9.6221228 0.25624749 pacritinib 7.94239 8.287962 -0.34557161 pactamycin 8.4715405 8.7319412 -0.26040101 pactimibe 8.6338501 8.5264902 0.10735939 pafuramidine 8.5961504 8.7664843 -0.17033456 Palau'amine 9.3145103 9.0399837 0.27452666 palbociclib 8.6380997 8.5641203 0.07397943 palifosfamide 9.9249697 9.5755653 0.34940454 palifosfamide tromethamine 9.8500204 9.3181162 0.53190368 palindore 8.5370998 8.7006636 -0.16356324 palmatine 11.40951 11.5594 -0.14988956 palmitic acid 11.29329 10.765569 0.52772146 palmitoleic acid 9.7360201 10.436812 -0.70079255 palonosetron 9.1905804 9.131587 0.058993321 palovarotene 8.9394302 8.9027624 0.036667552 pamapimod 8.8088398 8.7317619 0.07707803 pamidronic acid 9.5434599 9.5773611 -0.03390108 panobinostat 8.4956903 8.3235054 0.17218484 panthenol 9.8166399 9.6359615 0.18067868 panthenyl ethyl ether 9.4618597 9.8213263 -0.35946637 pantoic acid 11.13223 10.708568 0.42366213 pantolactone 10.98132 10.737525 0.24379468 pantonine 9.7102299 9.2742872 0.43594301 pantoprazole 9.23985 8.8837595 0.3560909 pantothenic acid 9.7123604 9.8159733 -0.10361353 panulisib 8.8907003 8.7187929 0.17190741 papaverine 9.1357698 8.7353897 0.4003801 parabanic acid 10.96038 10.729289 0.23109049 paracoumaryl alcohol 8.6723099 8.922595 -0.25028512 Paradisamide 8.7203598 9.3324356 -0.61207587 paraffin 11.26499 10.989535 0.27545455 parafluorofentanyl 9.1084604 9.1514988 -0.043039218 paraldehyde 10.67479 10.528795 0.14599477 paramethadione 10.44073 10.100349 0.34038085 paramethasone 10.40309 10.472787 -0.069697008 paranyline 8.8395004 8.7249718 0.11452793 paraoxon 9.9897099 10.110977 -0.1212671 paraquat 7.38344 7.38344 -6.0800609E-10 parasorbic acid 10.77512 10.491968 0.28315216 parathion 9.8493299 9.7645397 0.084790587 parbendazole 8.8951797 8.8746681 0.020512145 pardoprunox 9.0874901 8.886735 0.20075518 parecoxib sodium 9.1380396 9.0012722 0.1367674 parethoxycaine 9.1508398 9.1571512 -0.0063108681 parinol 9.5615396 9.4899921 0.071547776 paroxetine 9.1214304 8.8686752 0.25275436 parvaquone 9.8329496 9.7281446 0.10480549 pasiniazide 8.8376102 8.89044 -0.052829567 patchouli alcohol 10.50076 10.227702 0.27305782 patidegib 9.1464701 8.8307104 0.31575945 pazopanib 8.4570303 8.2606659 0.19636452 pazufloxacin 9.0279503 9.1425638 -0.11461386 PCNB 9.5623703 9.734581 -0.17221113 PD166866 8.8748703 8.6234274 0.25144294 PD173955 8.4656401 8.292902 0.17273788 PD-98059 8.6718998 8.5350409 0.13685949 peach cyclopentanone 9.2827702 9.6841469 -0.40137687 peach pivalate 9.58529 9.5616598 0.023630474 pebulate 9.3263397 9.4619122 -0.13557249 pecilocin 9.0900698 8.9195766 0.17049322 pefloxacin 8.8216696 8.9407749 -0.11910504 pefurazoate 9.6159401 9.6719093 -0.055969678 PEG-10 10.63132 10.919446 -0.28812608 PEG-4 10.61528 10.566278 0.049002178 PEG-6 10.62315 10.68229 -0.059139814 PEG-6 cocamine 9.3398199 9.3498936 -0.010073423 PEG-7 cocamine 9.3754196 9.324873 0.050547335 PEG-8 cocamine 9.3311396 9.2857885 0.045351416 PEG-9 cocamine 9.3443098 9.2301865 0.11412325 PEG-5 cocoamide 9.4647398 9.7289724 -0.26423249 PEG-3-stearate 10.66029 10.713793 -0.053502396 Pelargene A 9.5265598 9.030467 0.49609262 Pelargene B 9.5742998 9.1220694 0.45223063 exoPelargene 9.5624199 9.5953264 -0.032906473 pelargonic acid 11.36098 10.761608 0.59937209 pelargonidin 12.07792 12.152935 -0.075015232 peliglitazar 8.9923096 8.692028 0.300282 pelitinib 8.6931896 8.3913231 0.30186722 pellartine 9.2841301 9.3038006 -0.01967084 pelletierine 9.4810801 9.571538 -0.090457886 cis-pellitorin 9.32236 8.8097267 0.51263356 pemetrexed disodium 7.7673998 8.0230818 -0.25568175 pemirolast 9.0316095 9.810936 -0.7793262 pemoline 9.7187204 9.4837656 0.2349543 pempidine 8.8353205 9.5729589 -0.73763901 penamecillin 9.70296 9.9319401 -0.22897965 penbutolol 8.97293 9.1231327 -0.15020259 penciclovir 8.7360697 8.5973234 0.13874623 penconazole 9.5560198 9.6407938 -0.084773608 pencycuron 8.8854303 9.1487713 -0.26334137 pendimethalin 9.8888397 9.6972895 0.1915509 penflufen 8.5567198 9.0775023 -0.52078205 penfluron 9.2617397 9.4412899 -0.17955022 d-penicillamine 9.4729204 9.1449156 0.32800478 penicillic acid 10.31192 10.56589 -0.25396997 penicillic acid (lactone for10.2177 10.458855 -0.24115509 penicillin BT 9.29494 9.3639555 -0.069015518 penicillin G potassium 11.09344 11.114041 -0.020601006 penicillin N 9.7981901 9.7342663 0.063923419 penicillin O 9.28477 9.4090433 -0.12427315 penoxsulam 9.2472496 9.4416008 -0.19435036 pentachlorobenzene 9.2489996 9.204114 0.04488606 pentachlorobenzoic acid 9.3760099 9.4018774 -0.025867403 pentachlorophenol 9.13517 9.0101652 0.12500463 pentadecane 11.26589 10.850764 0.41512614 1,3-pentadiene 9.1696501 9.5746517 -0.40500149 pentaerythritol chloral 10.62287 10.175564 0.44730586 pentaerythritol tetra(2-ethy10.99362 10.545867 0.44775295 pentaerythritol tetranitrate12.06482 11.996819 0.068000615 octahydro-pentalene 11.04049 10.294785 0.74570578 1-(2,4,4,5,5-pentamethyl-1-c9.71696 9.3146496 0.4023107 3,4,5,6,6-pentamethylheptan-10.63408 10.407366 0.22671424 (E)-3,4,5,6,6-pentamethylhep9.6896296 9.497056 0.19257374 (Z)-3,4,5,6,6-pentamethylhep9.6563797 9.497056 0.15932374 pentamidine 9.0107298 9.04953 -0.038799655 5-pentanamido benzoate 9.79527 9.66187 0.13340023 1,5-pentanediol 10.88809 10.286744 0.6013456 n-pentane 11.29708 10.925093 0.37198725 3-pentanethiol 9.18433 9.3351307 -0.15080102 pentanochlor (solan) 8.7924604 9.0063276 -0.21386795 pentanoic acid 11.3577 10.897206 0.46049362 1-pentanol 10.89388 10.605919 0.28796142 2-pentanol 11.0337 10.622963 0.41073716 3-pentanol 10.93512 10.830223 0.10489671 2-pentanone 10.67264 10.599513 0.07312721 3-pentanone 10.55091 10.337741 0.21316889 pentasodium pentetate 7.7076402 7.465898 0.24174219 pentazocine 8.7705297 8.5930872 0.17744313 pentedrone 9.3811798 9.3512201 0.029959397 1-pentene 10.03177 10.332651 -0.30088097 2-pentene 9.6002197 9.8174629 -0.21724293 2-penten-1-ol 9.6226501 9.8222418 -0.19959146 penthiopyrad 8.6790304 8.800189 -0.12115937 pentifylline 8.94557 8.5817318 0.36383826 pentobarbital 10.63876 10.285345 0.35341471 pentoxazone 9.4944897 9.3463631 0.14812739 pentoxifylline 8.9592695 8.8827372 0.076532841 pentyl butyrate 11.16535 10.968465 0.19688515 N-pentylcinnamide 9.2147598 9.2889128 -0.074152783 2-pentylfuran 9.0565596 9.7475147 -0.69095486 pentylone 9.1715899 9.1722031 -0.0006131421 pentyl pentanoate 11.17148 10.932181 0.23929903 pentyl propanoate 11.15674 10.774015 0.38272414 peonidin 11.83755 11.955544 -0.11799397 PEPA 9.1755695 9.4718571 -0.29628706 peramivir 9.39258 9.1309509 0.26162869 perampanel 8.48563 9.0217466 -0.53611618 perflubrodec 12.27171 12.090158 0.18155187 perflubutane 13.98309 13.589083 0.39400691 perfluidone 10.11735 10.050136 0.067214482 perfluorobutanesulfonic acid12.19169 12.840008 -0.64831752 perfluoroheptane 13.66815 13.480042 0.18810865 perfluorohexane 13.73973 13.590529 0.14920054 perfluorononanoic acid 12.18038 12.254071 -0.073690936 perfluorooctanesulfonamide 11.55387 11.562284 -0.0084147379 perfluorooctanesulfonic acid12.17714 12.52529 -0.34815049 perfluorooctanesulfonyl fluo12.45605 12.470085 -0.014034815 perfluorooctanoic acid 12.56666 12.647476 -0.080816366 perfosfamide 9.7669697 9.4767838 0.29018581 pericyazine 8.2058601 8.2305565 -0.024696389 perifosine 8.57833 8.4997158 0.078614071 perilla ketone 9.7109404 9.7465696 -0.035630055 perillene 9.2424002 8.9448442 0.29755589 perisoxal 9.2894201 9.123188 0.16623199 perlapine 9.0130196 8.6712322 0.34178787 perzinfotel 8.4126501 9.1317291 -0.71907896 pethoxamid 9.4490604 9.3702641 0.078795955 petunidin 2.7622499 2.7622499 0.000000002332035 pevonedistat 8.4969501 8.6289597 -0.13200995 pexacerfont 8.7620401 8.5797825 0.18225726 pexidartinib 8.8405704 8.9063387 -0.065769069 phantolid 9.3780699 9.4918356 -0.11376569 phaseic acid 9.9900198 9.844841 0.14517929 alpha-phellandrene 8.7978802 9.2647209 -0.46684057 beta-phellandrene 9.0646896 9.6174593 -0.55276895 phenacemide 9.8927803 9.4170132 0.47576657 phenacetin 8.9342299 8.9148808 0.019349072 phenacylamine 9.5287504 9.4625864 0.06616395 phenalene 8.3009996 8.6620159 -0.36101574 phenallymal 10.0844 10.028976 0.055423804 phenamacril 9.2701397 9.8250179 -0.5548777 phenamet 9.00175 9.0725727 -0.070822693 phenamiphos 8.3067303 8.6455698 -0.33883959 phenampromide 8.9620199 9.0002317 -0.038212046 phenanthrene 8.74014 8.7106438 0.029496441 phenaridine 8.9011097 8.8724623 0.028647827 phenarsone sulfoxylate 7.4008002 7.826365 -0.42556494 phenazin oxide 8.5100803 9.0390291 -0.5289492 phenazopyridine hydrochlorid8.3006401 8.6674213 -0.36678141 phencyclidine 8.8720903 9.2089014 -0.33681181 phendimetrazine 9.1866598 9.2163095 -0.029649951 phenelzine 8.94944 9.0539923 -0.10455243 phenesterine 9.4194803 9.1603603 0.25911981 phenetharbital 9.9802799 9.718256 0.2620244 phenethicillin potassium 11.10369 11.083089 0.020601006 phenethyl acetate 9.5322104 9.8469439 -0.31473371 phenethyl alcohol 9.5847902 9.553072 0.031718086 phenethylamine 9.4394703 9.152009 0.28746077 phenethyl phenylacetate 9.6370096 9.3827076 0.25430277 phenethyl propionate 9.5279703 9.8365297 -0.30855957 pheneturide 9.8660803 9.3896103 0.4764694 phenformin 8.8764601 9.1242752 -0.24781512 phenindione 9.65378 9.861475 -0.20769469 phenisopham 8.85958 9.1412601 -0.28168017 phenmetrazine 9.3825302 9.2672291 0.11530104 phenobarbital 10.0843 10.142249 -0.05794904 phenobenzuron 9.1082602 9.3996363 -0.29137662 phenocoll 8.7794504 8.8316641 -0.052214544 phenol 9.1736603 9.1890049 -0.015344553 Phenolic resin 9.05056 9.05056 2.2792026E-09 phenolphthalein 9.2139397 9.3984337 -0.18449345 phenol red 9.20819 9.20819 1.5515269E-09 phenopyrazone 9.4813499 9.3011637 0.18018627 phenothiazine 7.95683 7.882061 0.07476905 phenothiol 9.3341398 8.8547173 0.47942296 phenoxyacetaldehyde 9.3656902 9.4746628 -0.10897241 phenoxydiglycol 9.5326405 9.4379282 0.094712079 phenoxyethanol 9.6281796 9.3593884 0.26879203 phenprobamate 9.6180496 9.5090761 0.10897375 phenprocoumon 9.3098497 9.259551 0.050298717 phensuximide 9.9138098 9.58916 0.32464981 phentermine 9.4420204 9.0986729 0.34334669 phenthoate 9.3858404 9.414114 -0.028274283 phentolamine 8.3915901 8.7339211 -0.34233078 phenylacetaldehyde 9.7708597 9.6683464 0.10251366 phenyl acetate 9.3400803 9.6097183 -0.26963845 phenylacetic acid 9.5948496 9.8535557 -0.25870568 phenylacetone 9.4604301 9.5985088 -0.13807848 phenyl acetylsalicylate 9.6809797 9.3434677 0.3375122 D-phenylalanine 9.6278296 9.2358065 0.3920235 L-phenylalanine 9.67768 9.2358065 0.44187352 phenyl aminosalicylate 8.9441099 8.4928207 0.45128927 phenyl benzoate 9.3150501 9.2596302 0.055419777 phenylboronic acid 9.5386801 9.7009058 -0.16222605 4-phenyl butanol 9.44032 9.57022 -0.12989953 1-methoxy-3-phenylpropane 9.4368095 9.6606293 -0.22381893 m-phenylenebis(methylamine) 9.4175797 8.8695383 0.54804128 p-phenylenediamine 8.0615597 7.88871 0.17284986 phenylephrine 9.1235399 8.8668022 0.25673798 2-phenylethyl isopentyl ethe9.4661503 9.7185555 -0.25240543 phenylethyl isopropyl ether 9.4452801 9.6120472 -0.16676745 4-phenylfentanyl 9.0459995 9.0693588 -0.023359066 L-a-phenylglycine 9.6758404 9.5044031 0.17143692 phenylglyoxal 10.24727 9.9694147 0.27785525 5-phenyl-1H-pyrazole 8.8034601 8.8975296 -0.094069347 phenyl methylcarbamate 9.6499004 9.3319502 0.31794995 phenylOCH2C(=O)N(Me)2 9.2305403 9.1661634 0.064376399 5-phenylpentanol 9.4340801 9.5868311 -0.15275142 5-phenylpentan-2-one 9.4535103 9.626215 -0.17270476 o-phenylphenol 9.0509701 8.8203278 0.23064257 phenylpiracetam 9.6560802 9.3369799 0.31910014 2-phenyl-1-propanol 9.5988197 9.5297203 0.069099508 3-phenylpropanol 9.5245104 9.5588036 -0.034293197 phenylpropanolamine 9.5523901 9.3035326 0.24885781 2-phenylpropenyl acetate 8.8236303 9.6052961 -0.78166622 3-phenylpropionitrile 9.7416801 9.9763422 -0.23466223 3-phenylpropyl acetate 9.5035696 9.8522539 -0.34868369 3-Phenylpropyl acetate 9.5653696 9.8180733 -0.25270337 phenylpropyl ether 9.0736399 9.6230068 -0.54936701 2-phenylpyrazole 8.99648 8.9969082 -0.0004279773 3-phenylpyridazine 9.3809996 9.1909523 0.19004814 2-phenylpyridine 9.1216402 9.1307888 -0.0091491519 3-phenylpyridine 9.1525602 9.2417994 -0.089239143 phenyl salicylate 9.4763098 9.1153069 0.36100334 a-Phenylsarcosine 9.0297298 8.7945194 0.2352103 phenylsilane 9.4112701 9.1056223 0.30564767 phenyl sulfide 9.0904198 8.8137226 0.27669775 methylsulfinylbenzene 9.1434097 9.30194 -0.15852956 phenyl trimethicone 9.0341597 8.5591326 0.47502729 phenyramidol 8.5967398 8.9290915 -0.33235168 phenytoin 9.8651896 9.7150488 0.15014158 phethenylate sodium 8.2348299 8.2423716 -0.0075419643 phloretin 9.08148 9.0159836 0.065496229 phorate 9.04496 9.0241737 0.020786304 phosacetim 9.0600004 9.1117039 -0.05170399 phosdiphen 9.0130901 8.8135023 0.19958758 phosfolan 9.3377504 9.2445364 0.09321329 phosmet 9.3014202 9.5781822 -0.27676216 phosphamidon 8.8572798 9.5545759 -0.69729578 phosphocarb 9.1134195 8.9932089 0.12021112 phosphoenolpyruvate -10.37034 -10.653614 0.28327391 phosphoethanolamine 9.4790802 9.9019279 -0.42284825 2-phosphoglycerate -11.42936 -11.355027 -0.074333198 3-phosphoglycerate -10.06893 -9.8605309 -0.20839947 3-phosphoglyceroyl phosphate-11.71743 -11.786178 0.068747818 2-phosphohomoserine 9.89676 9.8664093 0.030350672 phosphole 8.7965403 8.4913244 0.30521524 phosphonoacetic acid 10.94302 10.690069 0.25295055 (((Phosphonomethyl)imino)bis7.9936199 7.928834 0.064786166 phosphorine 9.0703602 9.3019962 -0.23163669 O-phosphoserine 9.9781904 9.9424162 0.035773911 phoxim 9.5885897 9.5991478 -0.010558151 phthalic acid 10.44206 10.251613 0.19044743 phthalic anhydride 10.81342 10.48519 0.3282299 phthalide 10.13687 9.9801998 0.15666984 phthalimide 10.29513 9.9545355 0.34059489 phthalylsulfacetamide 9.5877504 9.3354273 0.25232255 phthalylsulfathiazole 8.8461103 9.3839483 -0.53783852 physodic acid 9.1199303 8.6899023 0.43002746 phytanic acid 11.15851 10.345336 0.81317425 phytenic acid 10.35012 10.286411 0.063708581 phytoene 8.4121799 8.510026 -0.097845532 phytol 9.5898104 10.114784 -0.52497387 phytosphingosine 9.9493999 9.8554897 0.093910374 piberaline 9.2351704 9.2783079 -0.043137442 piceatannol 8.5359297 8.5795393 -0.04360893 picene 8.4758101 8.2798996 0.19591057 picloram 9.3892498 9.2813559 0.10789406 piclozotan 8.8984804 8.7053385 0.19314158 picolinafen 8.9130096 9.299386 -0.38637617 picolinic acid 10.48846 9.9994144 0.4890458 picoxystrobin 9.77244 9.3785276 0.39391226 picric acid 11.50231 11.431776 0.070534348 picrotin 11.16604 10.982033 0.18400693 picrotoxinin 10.51689 10.89237 -0.37548056 pictilisib 8.73915 9.073164 -0.334014 pilocarpine 9.4538202 9.9632788 -0.50945836 pimagedine 9.5002804 9.403409 0.096871458 pimavanserin 9.2383204 8.8789139 0.35940611 pimodivir 8.8229303 8.551259 0.27167103 pindolol 8.2779999 8.3887634 -0.11076368 pindone 10.38826 10.035516 0.35274431 alpha-pinene 9.2911196 9.6583729 -0.36725256 beta-pinene 9.6982298 10.011111 -0.31288087 pinnatanine 8.7484198 9.0909767 -0.34255707 pinocembrin 9.2394695 9.0453243 0.19414578 pinoresinol 8.7844896 8.9029722 -0.11848256 pinostilbene 8.5113201 8.5144796 -0.0031592492 pinoxaden 8.9984398 8.7336378 0.26480231 pioglitazone 9.1698503 9.33599 -0.16613975 pipecolic acid 9.3434601 9.8432446 -0.49978477 pipecolic acid betaine 9.0061398 9.2182217 -0.21208169 pipemidic acid 9.1578703 8.9888897 0.16898076 piperalin 9.1134596 9.2628336 -0.14937377 piperazine 9.1164904 9.3947096 -0.27821988 piperidazine-3-carboxylic ac9.3933201 9.4518032 -0.058482807 piperidine 9.2896099 9.7707882 -0.48117816 4-piperidinone 9.70961 9.8393593 -0.12974916 piperidione 9.7629499 10.042862 -0.27991191 piperidolate 9.1703701 9.1073837 0.062986195 piperidylthiambutene 8.9382896 9.3906593 -0.45236903 piperitone 10.09234 10.090006 0.0023343607 piperonyl acetone 8.9497099 9.2081385 -0.25842854 piperonyl cyclonene 9.14645 9.177084 -0.030633707 piperophos 9.4672499 9.1126623 0.35458782 piperylone 9.0490599 8.7278976 0.32116282 pipobroman 9.5838203 9.6651192 -0.081299573 piposulfan 9.4361296 9.7020006 -0.26587066 piprotal 9.1575203 9.6089258 -0.45140579 piprozolin 9.2574501 9.0879049 0.16954485 piquindone 8.7328796 8.6659613 0.066919059 piracetam 9.66436 9.6310987 0.033260882 piragliatin 9.4527197 9.4205856 0.032134205 pirbuterol 9.4128799 8.9885387 0.42434171 piribedil 8.7744503 9.0831404 -0.30869064 pirimicarb 8.7130003 9.119935 -0.40693527 pirimiphos ethyl 8.7009697 9.0866966 -0.38572702 piroheptine 9.0187302 8.9614115 0.057318363 piromidic acid 9.1083202 8.9371614 0.17115812 Piror R-8-S 10.11266 9.8410692 0.27159068 piroxicam 8.9431696 9.00881 -0.065640509 platensimycin 8.48699 9.0562592 -0.56926924 plerixafor 9.0435896 9.0570478 -0.013457678 plicadin 8.5721197 8.8938398 -0.32171971 plifenate 9.4202003 9.6753111 -0.25511071 plinabulin 8.2551699 9.0173597 -0.76218945 plumbagin 9.5952301 9.3809586 0.21427175 PLX4720 9.0319595 8.9391947 0.092765369 PMPDAP 8.4349899 8.8263979 -0.39140746 podocarpic acid 8.9215899 9.4124937 -0.49090409 podophyllinic acid 9.0581903 8.8315058 0.22668439 polmacoxib 9.4308004 9.6690025 -0.23820233 polybutene 10.13778 10.064763 0.073016755 polyoxorim 9.9529896 9.8119001 0.14109004 polythiazide 9.7261105 9.5003462 0.22576356 pomaglumetad methionil 9.21527 9.4568739 -0.24160346 pomalidomide 9.1996698 9.400898 -0.20122792 porfiromycin 9.2186499 8.734951 0.48369873 potassium benzoate 12.13464 12.13464 5.9010574E-12 potassium 2-benzyl-4-chlorop6.1631398 6.1631398 -2.498366E-10 potassium bicarbonate 8.4154501 8.7128544 -0.29740411 potassium bromide 6.8550901 6.8550901 5.8814731E-10 potassium carbonate 5.7634702 5.9161015 -0.15263143 potassium chloride 8.6525002 8.5966625 0.055837113 potassium citrate 4.9936199 5.1564069 -0.16278683 potassium lactate 8.17628 8.6730728 -0.49679318 potassium laurate 8.0678701 8.3288069 -0.26093677 potassium lauryl sulfate 9.4880896 9.1429987 0.34509131 potassium myristate 8.0429401 8.1959934 -0.15305336 potassium nitrate 9.46 9.4558411 0.0041587567 potassium palmitate 8.0701799 8.0526352 0.017544575 potassium persulfate 9.2162905 8.8690519 0.34723768 potassium phosphate, dibasic5.9670401 6.0537744 -0.086734138 potassium phosphate, monobas8.4292402 8.2543459 0.17489396 potassium sorbate 8.0501099 8.0366821 0.013427401 potassium sulfate 7.0459399 7.4794507 -0.43351051 potassium sulfite 4.6040401 4.3311672 0.27287284 pozanicline 9.06359 9.0007992 0.062790491 PP1 8.7507095 8.5992041 0.15150593 PP2 8.8381004 8.6832571 0.15484309 PP-389 9.7118998 9.5719852 0.13991432 PPG 124 9.3340502 9.3217707 0.012279622 PPG-2 methyl ether 10.5779 10.369359 0.20854069 PPG-3 methyl ether 10.556 10.311286 0.24471396 PQQ 9.7793102 9.7653675 0.013942935 practolol 8.3555403 8.7148304 -0.35929036 pradefovir 8.8686104 8.6107273 0.2578826 pradigastat 8.7608995 8.4698143 0.29108581 pramiconazole 8.5777597 8.3851624 0.19259754 pramipexole 8.7443304 8.4009171 0.34341264 pramiracetam 9.1027002 9.059269 0.043431167 pramocaine 8.7477102 9.1859665 -0.43825662 prasterone 9.6658897 9.7096167 -0.043726701 prasugrel 9.0715399 8.9142456 0.15729405 pravadoline 8.5365295 8.5286884 0.0078420378 prazepam 9.1501398 8.9903908 0.15974943 precocene 1 8.5766096 8.8921862 -0.31557611 prednimustine 9.5630999 9.4204407 0.14265932 prednisolone sodium metazoat9.4327497 9.4770899 -0.044340003 pregabalan 9.4926701 10.221173 -0.72850358 pregnenolone 9.53263 9.7075214 -0.17489104 pregnenolone acetate 9.50492 9.7600164 -0.25509638 pregnenolone sulfate 9.5492296 9.8432455 -0.29401526 preladenant 8.9611101 9.237216 -0.27610618 prenyl acetate 9.6110601 9.9727726 -0.3617126 pretilachlor 9.5009203 9.3178358 0.18308382 prexasertib 8.6012497 9.4621077 -0.86085761 pridinol 8.9863396 9.0963297 -0.1099898 pridopidine 9.0858097 9.4725103 -0.38669997 prilocaine 8.6245003 8.8214045 -0.19690412 primaquine 8.2542801 8.4935427 -0.23926267 primidone 9.7453699 9.6710997 0.074270487 primisulfuron methyl 9.7806301 9.6822605 0.09836942 primulin 11.98455 11.840672 0.1438776 prinaberel 8.9970903 9.0791693 -0.082079038 Prismantol 9.9043398 9.6569519 0.24738789 probenazole 10.43794 10.154884 0.28305575 probenecid 10.00856 9.8559647 0.15259521 procaine 8.9254904 8.6886539 0.23683643 procarbazine 8.9827995 8.9610662 0.021733627 prochloraz 9.47365 9.3651333 0.10851695 prochlorperazine 8.0025396 8.045413 -0.042873334 procyazine 9.4594097 9.6085339 -0.14912371 procymidone 9.2374601 8.978487 0.25897297 prodiamine 10.04562 9.9848528 0.060767014 Prodigiosin 8.0880003 8.2122126 -0.12421226 prodilidine 9.0123396 9.2764263 -0.26408654 profenofos 9.0433397 9.2137918 -0.17045163 proflavine 8.2037401 7.8344164 0.36932367 profluazol 9.3787003 9.1098614 0.26883897 profluralin 10.28941 10.138171 0.1512389 profluthrin 9.71873 9.8210783 -0.10234874 profoxydim 8.9027205 8.7177362 0.18498352 progabide 9.1950798 9.1064024 0.088677511 proglinazine 9.3720398 9.053463 0.31857702 proglumide 9.5792999 9.2991953 0.28010491 proheptazine 8.9476805 9.269537 -0.32185668 prohexadione 10.89009 10.884892 0.0051978105 prohydrojasmon 10.64685 10.603456 0.043393034 L-proline betaine 9.3265104 9.2475224 0.078987658 L-proline 9.5834799 9.8592091 -0.2757293 prolintane 8.9921598 9.3753023 -0.38314256 promazine 7.8938799 7.9172621 -0.023382276 promecarb 9.4342604 9.1045027 0.32975703 promecarb A 9.4940996 9.3639164 0.13018365 a-promedol 8.9713402 9.1985083 -0.22716819 g-promedol 9.0025702 9.1985083 -0.19593818 promestriene 8.7813997 9.5519934 -0.77059376 promethazine 7.8694301 7.8941617 -0.024731718 prometon 9.0821896 8.8519058 0.23028445 prometryn 8.9777002 8.7897129 0.18798718 Promexal 8.8719301 8.9519711 -0.080041036 promoxolane 10.4775 10.685655 -0.20815495 propacetamol 8.9510899 9.0417738 -0.090684041 propachlor 9.5670099 9.4121275 0.15488286 propafenone 9.2498198 9.2733021 -0.023482367 propagermanium 10.39379 11.5889 -1.1951096 propallylonal 10.31195 10.501665 -0.18971553 propamidine 9.0328503 9.0937986 -0.06094848 propamocarb 9.2479801 9.4816084 -0.23362793 1,3-propanediol 10.93719 10.38172 0.55547076 1,1-propanedithiol 9.2583504 9.065197 0.19315307 1,3-propanedithiol 9.29074 9.2291555 0.061584797 2,2'-[1,2-Propanediylbis(oxy10.59786 10.314454 0.28340605 1,3-propanesultone 11.48583 10.900997 0.58483297 1-propanethiol 9.19139 10.067266 -0.87587517 1,2,3-propanetricarboxylic a11.36945 11.278229 0.091221161 propanil 8.8699703 8.8846016 -0.014631344 2-propanol 11.04466 11.045215 -0.00055499998 propaphos 8.3118696 9.044282 -0.7324115 propazine 9.1509399 8.9222536 0.22868654 propenal 10.69228 10.288357 0.40392348 propentofylline 8.9253197 8.8666286 0.058691397 S-(Prop-1-enyl)-cysteine 8.7768297 9.0627813 -0.2859515 2-(1-propenyl)-p-cymene 8.7814198 9.092782 -0.31136227 propetamphos 9.5445604 9.4288244 0.11573549 propham 8.97684 9.3064737 -0.32963347 propiconazole 9.3944902 9.2834654 0.11102418 propineb 8.8733397 8.805975 0.067364775 beta-propiolactone 11.28986 10.886564 0.40329608 propiomazine 8.0163403 7.8444281 0.17191193 propionylpromazine 7.9702501 7.843473 0.12677681 propiram 8.7367802 8.7251577 0.011622059 propisochlor 9.6162205 9.4366236 0.17959629 propizepine 8.5163603 8.8645859 -0.34822634 propofol 8.9935198 9.2049398 -0.21142009 propoxur 9.1784601 9.1696281 0.0088314619 propoxycarbazone 9.4327002 9.462903 -0.030203121 1-propoxy-2-propanol 10.46579 10.675863 -0.21007289 propranolol 8.7035704 8.7621222 -0.058551826 propranolol 8.4474497 8.7621222 -0.31467181 propyl acetate 11.24842 10.91762 0.33080006 n-propyl 4-aminobenzoate 8.9170599 9.1995678 -0.28250816 n-propylbenzene 9.4075699 9.863328 -0.45575809 propyl benzoate 10.0578 10.16367 -0.10586914 S-n-Propylcysteine 9.2003899 9.2898636 -0.089474045 S-Propylcysteine sulfoxide 9.4783697 9.639905 -0.16153455 S-n-Propylcysteine sulfoxide9.4783697 9.639905 -0.16153455 propylene carbonate 11.68703 11.440382 0.24664754 propylene glycol butyl ether10.72986 10.636319 0.093540825 propylene glycol diacetate 11.26588 10.745343 0.52053684 propylene glycol laurate 11.1893 10.707488 0.48181194 propylene glycol oleate 9.8383999 10.516826 -0.67842519 propylene glycol phenyl ethe9.03473 9.3913908 -0.35666105 propylene glycol t-butyl eth10.73125 10.092444 0.63880533 R-(+)-propylene oxide 11.29129 10.742624 0.54866546 S-(-)-propylene oxide 11.28894 10.742624 0.54631543 propyl formate 11.32087 10.97433 0.34654045 propyl gallate 9.25033 9.3468227 -0.096492693 propylhexedrine 9.1726599 9.4514627 -0.27880245 O-Propylhomoserine 9.9251804 9.8958302 0.029349551 propylidynetrimethyl trimeth10.57885 9.9387331 0.64011681 propylparaben 9.5114899 9.5396566 -0.028166963 2-propylphenol 9.0682697 9.436079 -0.36780918 4-propylphenol 9.0059795 9.165925 -0.15994531 4-n-propylpyridine 10.03839 9.9148893 0.12350097 1-Propyl-2-pyrrolidinone 9.49055 10.00699 -0.51644027 propyrisulfuron 9.1852303 9.1276283 0.05760181 proscillaridin 9.5925703 9.1542969 0.43827271 prostacyclin 9.3784599 9.8053541 -0.42689365 prostaglandin E1 10.23611 10.410153 -0.17404297 prostaglandin E2 10.11689 10.118917 -0.0020265086 prostaglandin F2a 9.8517199 9.9758778 -0.12415783 prostanozol 9.0903797 9.3764334 -0.28605306 prosulfalin 9.9716997 10.071751 -0.10005031 prosulfocarb 9.3186398 9.1493464 0.16929403 prosulfuron 9.7783499 9.623188 0.15516216 prothiocarb hydrochloride 9.3445597 9.098278 0.24628197 prothioconazole 8.6542101 8.9157333 -0.26152357 prothiophos 9.1405401 8.7289677 0.41157231 prothipendyl 7.8645101 8.028491 -0.16398056 prothoate 9.3751001 9.1734943 0.20160578 protionamide 8.9320202 9.1361847 -0.20416479 protoanemonin 9.9365797 10.170838 -0.23425801 protrifenbute 9.2165899 9.0028095 0.21378073 proxan 9.3261995 9.4170265 -0.090826444 proxibarbal 10.38647 10.25909 0.12737958 prucalopride 8.8102303 8.4836655 0.32656464 prunetin 8.9858303 8.8721828 0.11364686 pruvanserin 8.9864902 9.1447697 -0.15828006 PS-15 9.0445995 8.9765654 0.068035014 pseudaconitine 8.8146601 9.4690695 -0.65440905 pseudopelletierine 9.2976799 9.5172453 -0.21956524 PSI-7977 9.0947304 9.1372089 -0.042478669 psilocin 8.1297503 8.0713253 0.058424838 psilocybin 8.14186 8.3704205 -0.22856013 psoralen 9.1632795 8.9254036 0.2378765 pterostilbene 8.4665899 8.4455757 0.021014698 pterulone 9.0252104 9.1093464 -0.084136009 puerarin 8.9979801 9.2590008 -0.26102126 pulegone 9.6129303 10.19357 -0.58064049 1H-purine 9.78866 9.5061779 0.28248191 purpurin 8.9336395 8.9513712 -0.017731383 putreanine 9.4593201 9.3199282 0.13939166 putrescine 9.4078302 9.5032711 -0.095441416 sonolisib 8.3710003 8.3710003 1.5900827E-09 pydanon 9.7106304 9.8881817 -0.17755213 pymetrozine 9.2509499 9.9538937 -0.7029441 pyocyanine 8.2583399 8.5266895 -0.26834944 pyrabactin 9.3786602 9.841157 -0.46249658 pyracarbolid 8.8215504 8.8490477 -0.027498009 pyraclofos 8.70117 8.9682255 -0.26705515 pyraclostrobin 8.68542 8.8161421 -0.13072179 pyraflufen-ethyl 8.9153099 9.2539434 -0.33863351 pyramat 9.8142204 9.3588467 0.45537341 pyrametostrobin 8.6547499 8.837532 -0.18278225 2H-pyran 8.6596003 9.265727 -0.60612673 4H-pyran 8.8308201 9.3350821 -0.50426185 pyraoxystrobin 8.6066504 8.8483019 -0.24165162 pyrazinamide 9.8173504 9.8309097 -0.013559827 pyrazine 10.15795 10.424867 -0.26691622 pyrazolate 9.3353004 9.5063686 -0.17106862 pyrazole 9.6840601 9.2545996 0.42946053 pyrazolidine 8.9322395 9.4418373 -0.50959736 3-pyrazolone 9.41292 9.276144 0.1367759 5-pyrazolone 9.5830698 10.243591 -0.66052103 beta-Pyrazol-1-ylalanine 9.7338305 9.8694134 -0.13558361 pyrazophos 9.1326103 9.4514437 -0.31883377 pyrazosulfuron ethyl 9.2065096 9.3814468 -0.17493655 pyrazoxyfen 9.5222702 9.4916086 0.030661386 pyresmethrin 9.2117395 9.1939058 0.017834518 pyrethrin II 8.8081303 8.8198214 -0.011691662 pyribenzoxim 9.4651299 9.3487921 0.11633787 pyributicarb 8.6974401 8.8549328 -0.15749258 pyrichlor 9.44382 9.4832907 -0.039470933 pyridafol 9.0707598 8.839323 0.23143698 pyridalyl 9.0421495 8.9916162 0.050533414 pyridaphenthion 8.9369497 9.2321186 -0.29516834 pyridate 9.09023 8.9014645 0.18876573 pyridazine 9.9334698 9.9739323 -0.040462609 pyridine 10.10375 9.9490137 0.15473597 2-pyridinecarbonitrile 10.43744 10.118945 0.31849512 2-pyridineethanol 9.8205996 9.6028376 0.21776253 2-pyridinemethanol 9.7800398 9.7486439 0.031396065 pyridinitnil 9.2393398 9.1297264 0.10961325 pyridosine 10.36477 10.270825 0.0939449 pyridostigmine bromide 8.4304895 8.4304895 6.3502981E-10 pyridoxal 9.4789 9.6793728 -0.20047271 pyridoxal 5-phosphate 9.5830803 9.6804218 -0.097341955 pyridoxamine 9.2420301 9.0317202 0.21030986 pyridoxamine phosphate 9.3115902 9.0735922 0.23799823 4-pyridoxic acid 9.5354404 9.6670656 -0.13162565 pyridoxine hydrochloride 9.3298502 9.6176567 -0.28780678 2-pyridylacetonitrile 10.20402 9.9779053 0.22611469 pyrifenox 9.50599 9.4785242 0.027465357 pyrifluquinazon 9.6337299 9.2963953 0.33733508 pyriftalid 9.3411903 9.2022276 0.13896272 pyrimethamine 8.7219896 8.6035156 0.11847458 pyrimethanil 8.6521196 8.5551682 0.096952036 pyrimidine 10.30449 10.385696 -0.081206799 pyriofenone 9.0973196 9.3120842 -0.21476397 pyrisuccideanol 9.2741098 9.3436222 -0.0695123 pyrithiobac 9.1989498 9.053134 0.14581601 pyrithione 8.8828201 9.5419245 -0.65910482 pyrithyldione 9.43995 9.7225895 -0.28263974 pyritinol 9.3454399 8.8601046 0.48533565 pyrocatechol 8.8306799 9.1245947 -0.29391435 pyrogallol 8.9621696 9.0601845 -0.098014131 L-pyroglutamic acid 9.9294901 10.159688 -0.23019819 pyrolan 8.9610901 8.9910965 -0.030006396 2-pyrone 9.64149 10.292993 -0.65150249 4-pyrone 9.8776798 10.292993 -0.41531253 pyroquilon 8.5629396 9.0029716 -0.44003135 pyrovalerone 9.0399103 9.4708796 -0.4309693 pyroxsulam 9.4197798 9.2025938 0.21718647 pyroxychlor 9.6158504 9.6551962 -0.039345864 pyroxyfur 9.2723398 9.1648436 0.10749688 pyrrole 8.9287004 8.4610472 0.46765321 pyrrole-2-carboxylic acid 9.4620104 9.1683474 0.293663 pyrrolidine 9.2255602 9.7948494 -0.56928903 2-pyrrolidone 9.5174198 10.093985 -0.57656443 alpha-pyrrolidinopentiopheno8.9360504 9.576539 -0.64048862 alpha-pyrrolidinopropiopheno8.9089804 9.3791542 -0.47017449 pyrrolidone carboxylic acid 9.9090099 10.159688 -0.25067818 1-pyrroline 10.33607 10.239169 0.096900955 2-pyrroline 8.5958996 9.1394577 -0.54355776 3-pyrroline 9.0269403 9.2216768 -0.19473724 pyrrolnitrin 9.0765696 8.8750973 0.20147248 pyruvate 4.3405099 4.0630689 0.27744094 pyrylium 16.150921 16.150921 -1.0044765E-09 quaternium-10 12.05094 11.827288 0.22365247 quaternium-24 8.4622803 8.4244289 0.03785105 quazepam 9.2427197 9.3661776 -0.12345721 quercetin 8.4837599 8.6726589 -0.18889876 quetiapine 8.6356602 8.6268358 0.0088241678 quinacetol 8.9959497 9.1310358 -0.13508591 quinacillin 9.7846203 9.9005594 -0.11593955 quinaldine 9.1406603 9.0125074 0.12815247 quinalphos 9.4067698 8.945116 0.46165434 quinazamid 9.1510296 8.9629612 0.18806882 quinazoline 9.5923796 9.3157406 0.27663961 quinbolone 9.0462303 9.317317 -0.27108711 quinclorac 9.3863602 9.4042311 -0.017870903 quinconazole 9.2951097 9.5150032 -0.21989304 quinfamide 8.9316502 8.9866714 -0.055021089 quinic acid 11.12949 10.930138 0.19935215 quinidine 8.8606997 8.9487324 -0.08803229 quinine 9.0311298 8.9487324 0.082397707 quinmerac 9.3515301 9.2855902 0.065940037 quinocide 8.1577597 8.4226637 -0.2649036 quinoline 9.2414398 9.1700687 0.071370833 quinolinic acid 10.79806 10.219152 0.57890731 8-quinolinol 8.7988701 8.8826599 -0.083789609 quinolizidine 8.9640398 9.7261972 -0.76215762 4H-quinolizine 7.36622 7.9128022 -0.54658222 quinone 10.92452 10.189226 0.7352941 quinoxaline 9.5865803 9.136302 0.45027775 quinoxyfen 9.03193 9.1452236 -0.11329392 quinuclidine 9.2792702 9.6920605 -0.41279048 3-quinuclidinol 9.3330297 9.6326828 -0.2996527 3-quinuclidinol acetate este9.4008703 9.8683252 -0.4674553 quinupramine 8.4539204 8.639636 -0.18571565 quisinostat 8.3949604 8.8751993 -0.48023972 quisqualamine 9.9331999 10.116318 -0.18311794 quisqualic acid 10.48687 10.513251 -0.026381591 quizalofop-P-tefuryl 9.3482904 9.2363739 0.11191634 R-25788 9.6719999 9.8672285 -0.19522817 R-30490 9.08568 9.1124573 -0.026777336 R 33865 9.25177 9.0210257 0.23074481 R86183 8.47087 8.3388538 0.13201614 rabacfosidine 8.5057898 8.2372608 0.26852947 rabenzazole 8.7874899 8.8869591 -0.099468604 rabeprazole 9.0020304 8.9373064 0.064723156 racefemine 9.0669203 8.8107157 0.25620466 racivir 9.5412302 9.5874434 -0.046213228 ractopamine 9.0605202 8.8225651 0.23795478 radezolid 9.1428804 9.1222467 0.020633431 radicinin 9.3016901 9.8769398 -0.57524949 raffinose 10.82995 10.873057 -0.043107282 ralfinamide 8.9832697 8.9809513 0.002318271 raltegravir 9.3797302 9.1167698 0.26296037 raluridine 9.2893 9.773757 -0.48445743 ramatroban 8.4251204 8.6825609 -0.25744084 ramelteon 8.9636803 8.9127903 0.05089004 ranimustine 9.8982 9.6605539 0.23764616 ranitidine 9.2258501 8.9300337 0.29581606 ranunculin 10.84913 10.48615 0.3629798 rapastinel 9.2297497 9.2033644 0.026385786 raphanin 9.2756996 9.219944 0.055756412 raspberry ketone 9.0187101 9.2601509 -0.24144112 ravoxertinib 8.6619797 8.9462624 -0.28428191 raxatrigine 9.1500397 9.0636616 0.086378105 razoxane 10.194 10.090851 0.10314916 razupenem 8.96733 9.1554775 -0.18814737 RCS-4 8.4442797 8.7423563 -0.29807675 RCS-8 8.4558096 8.6223993 -0.16658966 rebamipide 8.8839397 9.227829 -0.34388936 rebastinib 8.9749203 8.5011177 0.47380275 reboxetine 8.5726805 8.8291826 -0.25650236 recilisib 9.31847 9.0821629 0.23630707 reductic acid 9.1169205 9.0240469 0.092873342 regadenoson 8.9564505 8.9550943 0.0013553654 regrelor disodium 7.7431202 7.7431202 -3.8747316E-10 reldesemtiv 8.6739702 8.7123566 -0.038386412 relenopride 8.8446398 8.8495207 -0.0048803063 remifentanil 9.0971804 9.1124573 -0.015277336 remoxipride 9.11444 9.0671139 0.047325972 repaglinide 9.0509195 8.860095 0.19082515 reparixin 9.4567499 9.3248558 0.13189454 reposal 10.02202 10.069004 -0.046984483 repretinib 8.5694304 8.4743128 0.095116824 resazurin 8.8958302 8.8546305 0.041199394 resiquimod 8.3607702 8.4877186 -0.12694895 resorantel 8.8414097 8.7293797 0.11203029 resorcinol 9.0643997 8.8741913 0.19020848 resveratrol 8.4866304 8.707963 -0.22133298 retigabine 8.2398701 8.0723648 0.16750534 retinal (all-trans) 8.3715496 8.4078531 -0.036302827 11-cis retinal 8.4818497 8.4078531 0.07399717 9-cis-retinoic acid 8.4550505 8.5546885 -0.099638686 retinyl acetate 8.3119297 8.4987621 -0.18683252 retinyl palmitate 8.3122902 8.6891584 -0.37686813 retinyl propionate 8.3045702 8.5277109 -0.22314052 retronecine 8.3895397 9.3849936 -0.99545366 rezatomidine 8.0850401 8.5996952 -0.51465487 RH-5849 9.7691803 9.6711617 0.098018765 alpha-L-rhamnose 10.5163 10.741769 -0.22546911 rhizobitoxine 9.6639299 9.4324837 0.23144607 rhodanine 9.4731197 9.5045099 -0.031389598 rhodethanil 8.8119898 8.979497 -0.16750672 rhodinol 9.7245598 9.6845112 0.040048581 rhodotorulic acid 9.8712196 9.5218678 0.34935218 rhodoxanthin 8.0427198 8.5257759 -0.48305631 rhubafuran 9.6389303 9.5593729 0.079557143 rhubarb oxirane 9.4364204 9.439229 -0.002808983 rhubarb pyran 9.4894695 9.9229898 -0.43352032 ribavirin 9.5210304 9.566659 -0.045629378 ribociclib 8.0866098 8.4407864 -0.35417646 riboflavin 8.8938198 9.1029768 -0.20915651 riboflavin phosphate -1.08082 -1.08082 -9.2459485E-10 D-ribose 10.83348 10.79554 0.037940312 D-ribose-5-phosphoric acid 10.75795 10.534978 0.22297245 D-ribulose 10.66879 10.374308 0.29448223 ribulose-5-phosphate 10.47564 10.217271 0.25836894 ricolinostat 8.8584404 9.4245358 -0.56609559 trigonelline 15.25898 15.25898 -4.3200998E-10 rigosertib 8.6339903 8.4323616 0.20162867 rilmenidine 8.8644695 9.1969757 -0.33250582 riluzole 9.0523996 9.041254 0.011146048 rimantadine 9.3987703 9.5311384 -0.13236836 rimcazole 8.42138 8.2276478 0.19373186 rimegepant 8.8241596 8.9571495 -0.13298917 rimonabant 9.1745501 8.5705824 0.60396796 rimsulfuron 9.1268902 9.2003326 -0.073442593 risedronic acid 9.7753401 9.7567835 0.018556284 rislenemdaz 9.05268 9.0415726 0.011107382 ritipenem 9.0581799 9.4943972 -0.43621734 rivanicline 9.2114 9.1926394 0.018760588 rivaroxaban 8.5086498 8.8039112 -0.29526073 rivastigmine 9.0111103 8.8943577 0.11675236 rivoglitazone 8.5984297 8.928237 -0.32980666 rizatriptan 8.69203 8.477931 0.21409903 Ro-247429 8.8119802 8.6980524 0.1139277 robalzotan 9.17974 9.1258669 0.053872775 robenidine 8.96488 9.0561762 -0.091296166 rofecoxib 9.6900101 9.4048796 0.28513035 rolapitant 9.5483799 9.4883146 0.060065541 rolicyprine 9.3747902 9.454608 -0.079817623 rolipram 9.50348 9.3428659 0.16061431 rolziracetam 10.09819 10.017042 0.081147976 romandolide 10.11107 10.598298 -0.48722821 ropivacaine 9.1272202 8.756917 0.37030339 roquinimex 8.6010199 8.7012615 -0.10024133 rosabulin -2.79458 -2.7753794 -0.019200578 R-roscovitine 8.2960997 8.6028872 -0.30678681 rose absolute pentanol 9.39781 9.3946133 0.00319685 rose carboxylate 9.6494703 9.7466888 -0.097219266 roseonine 9.1133604 9.133913 -0.020552581 rosiglitazone 8.8127403 9.4872551 -0.67451507 rosiptor 9.2719698 9.5151358 -0.2431657 rosmarinic acid 9.0725803 9.1134214 -0.040841822 rosoxacin 8.9303799 9.1643696 -0.23398961 rotigaptide 9.2752399 9.3269911 -0.051750824 rotigotine 8.9572697 8.7281208 0.22914954 roxadustat 8.8244696 8.79704 0.027429884 roxatidine acetate 9.0309601 9.1851397 -0.15417945 roxibolone 10.29905 9.6924725 0.60657763 rubrocurcumin 8.9976597 8.9976597 1.2828014E-09 rucaparib 8.5666304 8.4030361 0.16359361 rufinamide 9.5494299 9.7358294 -0.18639968 rufloxacin 8.8596601 8.4324656 0.42719454 rupatadine 9.1064596 9.2899637 -0.18350372 rutin 9.0589304 9.0565252 0.002405158 rutinose 10.69859 10.596168 0.10242283 ruxolitinib 8.7115097 8.5996847 0.11182547 S-2720 8.6721897 8.7646875 -0.092497066 S-3307 9.41922 9.4680176 -0.048797429 S-3552 8.4033003 8.6543436 -0.25104317 S-88 8.4731302 8.6662111 -0.19308083 sabinene 10.45814 10.17748 0.28066051 saccharin 10.7132 10.318467 0.3947331 saccharopine 9.7715797 9.7104692 0.061110649 sacubitril 8.9036503 9.1433239 -0.23967358 safinamide 9.0902395 9.0277452 0.062494457 safrole 8.9595404 8.9761648 -0.016624741 sagopilone 9.1257496 9.2513809 -0.12563047 saijunmao 8.7062597 9.0098896 -0.30362982 salacetamide 9.65767 9.3247128 0.3329576 salbutamol 8.67556 8.7045412 -0.028981552 salclobuzate sodium 8.9230604 8.925539 -0.0024792284 salclomide 9.3331804 9.6385641 -0.30538449 salen 8.6976995 8.5881767 0.10952348 salicyl alcohol 9.3258495 9.3900356 -0.064185619 salicylaldehyde 9.4107599 9.6286764 -0.21791635 salicylamide 9.3972197 9.1087675 0.2884526 salicylamide O-acetic acid 9.9211597 9.4470787 0.4740817 salicylanilide 8.9744596 8.728735 0.2457251 salicylic acid 9.5370398 9.6629391 -0.12589942 4-salicyloylmorpholine 9.27563 9.3529797 -0.077349938 salicylsulfuric acid 9.8732901 10.153034 -0.27974397 salinazid 8.7177095 9.2448807 -0.52717024 salirasib 9.0654001 8.7551813 0.3102186 salsalate 9.4739504 9.4148531 0.059096601 salverine 8.9120998 8.9529276 -0.040827274 salvinorin A 9.5069199 10.505874 -0.99895364 samidorphan 9.4948597 9.0192366 0.4756234 sandal hexanol 10.70123 10.36323 0.338 sandal pentanol 9.3052101 9.8358307 -0.53062034 sanguinarine 11.59241 11.59241 -1.9860735E-10 SAN 380H 8.9020901 9.0977974 -0.19570698 Sankyo triazole 9.5476398 9.3974781 0.15016231 santonin 10.00011 9.7105465 0.28956369 sapacitabine 9.3555498 9.3569975 -0.0014474691 sapanisertib 8.8057699 8.5336065 0.27216336 sapropterin 8.0652103 8.3264513 -0.26124159 saracatinib 8.6773195 8.6221809 0.055139478 sarafloxacin 9.01122 8.9820414 0.029178407 sarcosine 9.5757799 10.07838 -0.50259966 sarin 10.63974 10.255902 0.383838 sarizotan 8.9752102 8.8031378 0.17207214 sassafras acetate 8.9509802 9.2700634 -0.3190833 saxagliptin 9.6765003 9.4024048 0.27409545 saxitoxin 10.52396 10.940009 -0.41604906 AT9283 8.8312902 8.7427731 0.088516511 SB 202190 8.6125898 8.8359213 -0.22333102 SB 203580 8.9816599 8.9443474 0.037313011 SC 0858 8.9364204 9.0845652 -0.14814469 schradan 9.3165703 8.7656841 0.55088633 sclareolate 10.79237 10.943486 -0.15111668 scopolamine 9.2340803 9.1763868 0.057693169 SD-169 8.7182999 8.4100504 0.30824929 sebuthylazine 9.16294 9.3014736 -0.13853389 secbumeton 9.0530901 9.155201 -0.10211056 secnidazole 10.04959 9.7395258 0.31006396 secologanin 9.9213305 9.7717619 0.14956829 sedamine 8.77001 9.1254044 -0.35539451 sedaxane 8.5825005 8.7491903 -0.1666902 segesterone acetate 10.15081 9.9545765 0.19623336 seladelpar 8.8020697 8.8755217 -0.073451556 selenocystathionine 8.9888 9.4783764 -0.48957658 selenocysteine 9.5766001 9.4511576 0.12544242 L-selenomethionine 9.1147099 9.2713842 -0.15667422 selenomethylselenocysteine 9.2566605 8.9981995 0.25846028 seletracetam 9.5460701 9.5884953 -0.04242542 selexipag 8.5287504 8.9316244 -0.40287483 seliciclib 8.3029099 8.6028872 -0.2999768 gamma-selinene 9.1742201 9.5462742 -0.37205413 selinexor 9.5016899 9.3064985 0.19519144 selodenoson 8.6033497 8.7246256 -0.1212755 selumetinib 8.4642897 8.3627739 0.10151657 semagacestat 9.4912701 9.5337744 -0.042504467 sembragiline 8.5788698 9.0163326 -0.43746293 semaxanib 8.17661 8.2696562 -0.09304633 semiamitraz 8.3921804 8.4653673 -0.073186956 senicapoc 9.6757603 9.2418413 0.43391842 sepiapterin 9.0729599 8.8471193 0.22584106 sergliflozin etabonate 8.7274199 9.2478065 -0.52038693 D-serine 9.6694098 9.777463 -0.10805318 L-serine 10.07746 9.777463 0.29999682 serinol 9.3232002 9.6005535 -0.27735314 serlopitant 9.0461903 9.0458803 0.00030955707 serotonin 8.2181997 7.9395366 0.27866343 sertindole 8.3968496 8.8482313 -0.45138097 sertraline 9.1890898 9.1412668 0.047823191 sesamin 9.0042496 8.9883938 0.015856421 sesamol 8.7674999 9.1254539 -0.35795358 sesamolin 8.79212 8.8301802 -0.038059946 setipiprant 8.6389799 8.4832172 0.15576264 sevoflurane 12.34894 12.546617 -0.19767675 shikimic acid 10.68156 10.250216 0.43134364 shogaol 8.9901695 9.1607237 -0.17055351 sibenadet 8.9718103 8.8101358 0.1616738 sibutramine 8.7671404 8.8342924 -0.067152001 siduron 8.9145403 8.7663794 0.14816105 siglure 9.8024597 10.02561 -0.22315037 silabenzene 8.3930998 9.300087 -0.90698713 silafluofen 8.9017897 8.5543022 0.34748796 silicic acid, disodium salt 7.2827501 7.2766633 0.0060864664 silole 9.2575502 8.5023842 0.75516605 3H-silole 3.00209 9.5669842 -6.5648942 silthiofam 9.1617804 8.310545 0.85123545 simazine 9.1598101 9.0808525 0.078957893 simeconazole 9.7221804 9.7013397 0.020840699 simenepag 8.8768196 8.6741686 0.20265172 simenepag isopropyl 8.73911 8.6502762 0.088833421 simetryn 8.9809904 8.9303207 0.050669402 sinapinic acid 8.8812904 9.1303854 -0.24909507 sinapyl alcohol 8.4937496 8.7601976 -0.26644796 sinefungin 8.8461399 8.5586977 0.28744265 sinigrin 8.8014898 8.8014898 2.919549E-10 sinomenine 8.7451601 8.8763399 -0.13118009 sintofen 8.9440298 9.2598324 -0.31580272 sisapronil 9.7845001 9.832407 -0.047906693 sitaxsentan 8.9589396 9.2604618 -0.30152225 sitravatinib 8.9021397 8.6114607 0.29067937 sivelestat 8.9622602 9.1194239 -0.15716431 sivifene 8.9850998 9.7830448 -0.79794443 SK-3185 9.2923098 9.2087069 0.083603039 skatole 8.3647003 8.481617 -0.11691745 sobetirome 8.95401 8.8791494 0.074860618 sobuzoxane 9.9330597 9.8462048 0.086854957 sodelglitazar 8.9926796 9.1977644 -0.20508438 sodium acetate 8.6155396 8.1112928 0.50424671 sodium aluminosilicate 7.8208499 7.8208499 -1.9850788E-12 sodium arsanilate 11.25408 11.25408 -2.8279068E-10 sodium arsphenamine 8.2673101 8.2673101 4.2995474E-10 sodium benzoate 8.7723999 8.180644 0.59175599 sodium bicarbonate 9.0304699 8.5627689 0.46770129 sodium bifluoride 7.6585202 7.6585202 1.6271429E-12 sodium bisulfate 9.9518299 9.7725 0.17932963 sodium carbonate 6.8021102 7.0756526 -0.27354261 sodium chloride 7.1375899 7.6715474 -0.53395754 sodium citrate 9.0264502 9.2621756 -0.23572581 sodium cocoate 8.6380997 8.67558 -0.037480161 sodium cocoyl isethionate 9.3647804 9.6212654 -0.25648588 sodium cumenesulfonate 9.2299204 9.0133963 0.2165238 sodium dehydroacetate 7.84829 7.6690063 0.17928359 sodium dithionite 6.0760398 6.2035174 -0.12747744 sodium dodecyl diphenyl oxid9.3071299 9.6817217 -0.37459123 sodium fluoroacetate 15.05644 15.05644 0.000000003678398 sodium gluconate 9.5548601 9.2682972 0.28656274 sodium glycerophosphate 5.4562502 6.2352324 -0.7789824 sodium glycolate 8.6224899 8.7464886 -0.12399889 sodium hydride 3.6704099 3.6704099 2.6640912E-12 sodium hydroxymethane sulfon9.0174503 9.5612144 -0.54376423 sodium isethionate 9.4272099 9.2929926 0.13421755 sodium lactate 8.73668 8.6133261 0.12335425 sodium laurate 8.6581802 8.67558 -0.01740016 sodium laureth-2-sulfate 9.8612003 9.6972456 0.16395429 sodium lauroyl isethionate 9.2702503 9.6212654 -0.3510159 sodium lauroyl sarcosinate 8.13097 8.2944889 -0.16351929 sodium lauryl sarcosinate 8.0510902 8.1783533 -0.1272635 sodium lauryl sulfate 9.6837397 9.4894733 0.19426686 sodium lauryl sulfoacetate 9.4693499 9.6212654 -0.15191589 sodium metabisulfite 6.6104002 6.7989154 -0.18851541 sodium metasilicate 6.7807398 6.7989993 -0.018259399 sodium methanearsonate 8.7028599 8.9107695 -0.20790929 sodium methylparaben 6.80159 7.9204254 -1.1188357 sodium methyl 2-sulfolaurate8.9428701 8.6982002 0.24466953 sodium myristyl sulfate 9.7325802 9.4034634 0.32911661 sodium nitrate 10.0361 10.050895 -0.014795042 sodium octoxynol-2 ethane su8.8633804 8.7425108 0.12086909 sodium octyl sulfate 9.6353197 9.4521961 0.18312417 sodium octyl sulfonate 9.11514 9.4398403 -0.32470071 sodium omadine 7.4175901 7.4175901 5.5707439E-11 sodium oxybate 5.9753699 8.4861774 -2.510807 sodium palmitate 8.6760998 8.5800848 0.096015245 sodium pentachlorophenate 11.51661 11.51661 -7.6916251E-13 sodium percarbonate 8.4268198 7.9385085 0.48831153 sodium peroxydisulfate 9.8769503 9.6029234 0.2740269 sodium persulfate 9.5685701 9.2960529 0.27251738 sodium propionate 14.84535 14.84535 4.2437165E-12 sodium pyroglutamate 8.4373102 8.4860172 -0.048706952 sodium pyrophosphate 6.7156501 6.7064753 0.0091748396 sodium saccharin 9.2732296 9.3325815 -0.059351619 sodium salicylate 8.0367298 7.8904247 0.1463051 sodium sesquicarbonate 6.2684498 6.345324 -0.076874271 sodium sorbate 8.3051901 7.7782955 0.52689457 sodium sulfate 7.94731 8.2133217 -0.26601127 sodium sulfite 5.6249499 5.7345271 -0.10957706 sodium tetraborate 8.7252998 8.7431641 -0.017863598 sodium tetrathiocarbonate 7.0616398 7.3770289 -0.3153891 sodium thioglycolate 8.1900396 8.2389154 -0.048875522 sodium toluenesulfonate 9.1443195 9.0617008 0.082618818 sodium xylenesulfonate 8.9187899 8.9896393 -0.070848919 sofinicline 8.5327902 9.0455627 -0.51277274 sofosbuvir 9.1833801 9.1372089 0.04617133 sofpironium bromide 8.9103098 8.8976479 0.012662255 solan 8.6793604 9.0063276 -0.32696795 solcitinib 12.73706 12.589192 0.14786714 solifenacin 9.3821402 9.025609 0.35653114 solriamfetol 9.4476204 9.2812042 0.16641587 Solvent Orange 2 8.5307198 8.4869747 0.043745555 Solvent Red 164 8.5935497 8.6588211 -0.065270722 Solvent Red 23 8.5936804 8.6588211 -0.065140717 Solvent Red 26 8.5339098 8.6109562 -0.077046409 sorafenib 9.03827 9.084796 -0.046525516 sorbic acid 9.6271601 9.8794966 -0.25233704 sorbitan 10.61865 10.543547 0.075103201 sorbitol 10.74914 10.850883 -0.10174219 sorbose 10.26249 10.552562 -0.2900714 sorivudine 9.1948605 9.5798302 -0.38497019 sotagliflozin 9.0361795 8.6742496 0.36193046 sotalol 9.1012897 8.6664057 0.43488467 sotirimod 8.4153099 8.7115564 -0.29624635 sotolon 9.7936802 9.8428345 -0.049154874 sotrastaurin 8.5743799 8.4068003 0.1675795 soulattrolide 8.7732496 8.7591581 0.014092161 sparteine 8.3759403 9.2575769 -0.88163716 spasmolytol 9.1272097 9.2706804 -0.14347079 spebrutinib 8.0371103 7.9636078 0.073502213 spermidine 9.2184801 9.1840315 0.034448169 spermine 9.2109203 8.9813194 0.22960104 sphingosine 9.4324999 9.5567656 -0.12426586 spilanthol 9.0481396 8.9950285 0.053111129 spiramide 9.1542702 8.9769573 0.17731266 spirilloxanthin 7.7426901 7.3406858 0.40200415 spirodiclofen 9.2649298 9.3821774 -0.11724754 spiro[1,3-dioxolane-2,8'(5'H10.34995 10.353148 -0.0031973668 spirogermanium 8.9098997 9.0034304 -0.093530141 spiroiminodihydantoin 10.06108 10.333 -0.27191997 spiromesifen 9.2723503 9.1580868 0.11426297 spironolactone 9.8656797 9.6824369 0.1832432 spiropentane 11.27325 10.049147 1.2241038 spizofurone 9.6962299 9.6359167 0.060313061 squalamine 9.1662998 9.208271 -0.041971419 squalane 11.08091 11.454801 -0.37389058 SR1 8.3952303 8.3251162 0.070113793 SSF 126 9.3356895 8.9999371 0.33575335 stachydrine 8.9080095 9.1107588 -0.20274876 stavudine 9.4720402 9.2701168 0.20192279 stearamine DEA 9.36763 9.3847532 -0.017122921 stearoyl chloride 11.06222 10.768952 0.29326788 stearyldimethylamine 8.9257097 9.7072668 -0.78155702 N-stearyltrimethylenediamine9.2167597 9.1270628 0.089697681 stendomycidin 8.7883396 9.0371923 -0.24885246 steviol 9.7794199 9.9131804 -0.1337605 stilbamidine 8.6475401 9.0107059 -0.36316559 cis-stilbene 9.0658903 8.9951849 0.070705116 trans-stilbene 8.6257696 8.9951849 -0.3694149 stizolobic acid 9.9421501 9.9652576 -0.023107696 stizolobinic acid 9.8089199 10.037034 -0.22811416 Stoddard solvent 11.26659 10.810237 0.45635322 streptolidine 9.3239002 9.133913 0.18998742 streptolydigin 9.2409096 9.1094961 0.13141385 streptonigrin 8.8225698 8.677146 0.14542362 streptozocin 10.22277 9.5015078 0.72126234 strobilurin A 8.4586401 8.9858494 -0.52720904 strobilurin B 8.4712496 8.7122517 -0.24100208 strobilurin G 8.1564798 8.1330967 0.023383325 styrene 9.1279001 9.3799191 -0.25201869 SU5402 8.3677902 8.3465986 0.021191115 subathizone 8.9047899 9.6946383 -0.78984803 succinic acid 11.60167 10.944959 0.65671116 succinic anhydride 11.51665 11.159244 0.35740596 succinimide 10.42781 10.401091 0.026719695 succinobucol 8.8755999 8.8603315 0.015268759 O-Succinylhomoserine 10.11108 10.123112 -0.012031653 succinyl peroxide 11.72863 11.652404 0.076225735 succinylsulfathiazole 9.3203297 9.2598982 0.060431425 suclofenide 9.7358599 9.4888964 0.24696346 sucralose 10.597 10.3616 0.23539977 sucrose octaacetate 10.97496 10.642402 0.33255857 Sudan I 8.5581799 8.5130863 0.045093216 Sudan II 8.4830198 8.4481421 0.034878246 Sudan III 8.5851002 8.6588211 -0.073720716 Sudan IV 8.5568104 8.6253328 -0.068522386 Sudan Orange G 8.8380404 8.5220175 0.31602213 Sudan Red 7B 8.6282501 8.4779816 0.15026872 Sudan Red G 8.3834801 8.4395227 -0.056042783 Sudan Yellow 3G 8.6914101 9.1972408 -0.50583047 sulbactam 10.42568 10.1932 0.23248008 sulbenicillin 9.5645103 9.8985176 -0.33400744 sulbentine 8.7398996 8.9093666 -0.1694662 sulcatol 9.3097897 9.685648 -0.37585807 sulcofuron 8.8335896 8.9479828 -0.11439317 sulconazole 9.33955 9.1634073 0.17614311 sulcotrione 9.7215595 10.152494 -0.4309341 sulfabromomethazine 9.2637796 9.2815638 -0.017783372 sulfacetamide 9.21455 9.2212582 -0.0067083342 sulfachlorpyridazine 9.4020395 9.2978601 0.10417951 sulfacytine 9.0810099 9.0656872 0.015323096 sulfadiazine 9.2891598 9.1674194 0.12174099 sulfadiazine sodium 8.0868597 7.859117 0.22774298 sulfadicramide 9.3239202 9.0293665 0.29455316 sulfadimethoxine 9.2769203 8.8391018 0.43781829 sulfadoxine 9.1470203 8.6872368 0.45978317 sulfaethidole 9.2489996 9.2548084 -0.0058082524 sulfaguanidine 9.2153702 9.1608934 0.054476202 sulfaguanole 9.13797 9.2066698 -0.068699621 sulfalene 8.8756304 8.8894844 -0.013854089 sulfamerazine sodium 8.0401297 7.8100185 0.23011157 sulfameter 8.0797501 8.7328568 -0.65310657 sulfamethazine 9.2229996 9.072341 0.15065897 sulfamethizole 9.4336004 9.3271151 0.10648453 sulfamethomidine 9.3819103 8.8539324 0.52797753 sulfamethoxazole 9.3720503 9.1426296 0.22941998 sulfamethoxypyridazine 8.86168 9.0421638 -0.18048424 sulfamethylthiazole 8.9755201 9.0669193 -0.091399692 sulfametrole 8.9937696 9.144804 -0.1510344 sulfamidochrysoidine 8.6157398 8.240716 0.37502381 sulfamidopyrine 8.1429996 8.2200699 -0.077070184 sulfanilamide 9.2251396 9.0801973 0.14494219 sulfanilamidosalicylic acid 8.9754801 8.5879374 0.38754237 sulfanilic acid 9.27878 8.9534292 0.32535076 2-p-sulfanilylanilinoethanol8.9906902 8.8404312 0.15025838 sulfabenzamide 9.3452597 9.3223991 0.022860724 N'-sulfanilylsulfanilamide 9.3536396 9.0667562 0.28688353 1-sulfanilyl-2-thiourea 8.7180796 8.9872169 -0.26913676 sulfanilylurea 9.3906603 9.1379147 0.25274494 N-sulfanilyl-3,4-xylamide 9.3416405 9.2378893 0.103751 sulfanitran 9.4538698 9.5871344 -0.13326393 sulfaperine 9.0703602 9.1019058 -0.031545822 sulfaproxyline 9.3537798 9.25 0.10378043 sulfapyrazine 9.1774902 9.3024759 -0.12498634 sulfapyrazine sodium 7.9991398 7.8680534 0.13108666 sulfapyridine 9.0282297 9.0784826 -0.050252654 sulfapyridine sodium 7.69664 7.7651715 -0.068531401 sulfarside 9.2698402 9.2508898 0.018950216 sulfarsphenamine 8.0482101 8.4378433 -0.38963366 sulfasalazine 9.0148802 8.5475826 0.46729776 sulfasomizole 9.2414703 9.2478542 -0.0063842144 sulfasymazine 9.3998003 9.3946209 0.00517913 sulfathiazole 9.0657196 9.0344343 0.031285278 sulfathiazole sodium 7.52981 7.7434969 -0.21368691 sulfatolamide 8.5464001 8.9226093 -0.37620929 sulfentrazone 8.8323698 8.9988537 -0.16648346 sulfinpyrazone 9.2130299 9.1372814 0.075748697 B-Sulfinyl-a-aminopropionic 9.9005899 9.851182 0.049407586 sulfisomidine 9.3213797 8.9705524 0.35082784 sulfisoxazole 9.1913004 9.4101038 -0.21880405 sulfluramid 11.08774 11.295536 -0.20779619 B-Sulfo-a-aminopropionic aci10.34725 10.091578 0.25567281 sulfolane 10.95945 10.849864 0.10958639 sulfometuron-methyl 9.14114 9.5371771 -0.39603737 sulfonethylmethane 10.80032 10.287416 0.51290363 sulfoniazide 9.3159704 9.6939411 -0.37797144 sulfonmethane 10.87611 10.41574 0.46037033 sulforaphane 9.1958103 9.3521824 -0.15637247 sulfosulfuron 9.1424999 9.334506 -0.19200584 sulfotep 9.2637701 9.4515038 -0.18773411 sulfoxaflor 9.8626604 9.6459446 0.21671554 sulfoxamine 8.4021101 8.955719 -0.55360901 sulfoxone sodium 6.5026898 6.3962989 0.10639124 sulfur 8.60501 8.4123268 0.19268328 sulfuric acid 12.50532 11.346651 1.1586689 sulfur mustard 9.3443098 9.5281096 -0.18379956 sulglycapin 9.4046001 9.4254761 -0.020876499 sulisobenzone 9.8335695 9.4435883 0.38998204 sulmarin 9.4459 10.10415 -0.65824974 sulopenem etzadroxil 9.2757101 9.5697384 -0.29402822 sulphon acid blue 7.1628799 7.3950849 -0.2322049 sulpiride 9.2720404 9.1221552 0.1498846 sulprofos 8.6126003 8.9234905 -0.31089061 sulthiame 9.5745697 9.7540779 -0.17950752 sultropen 11.66953 10.725621 0.94390905 sunitinib 8.30686 8.195384 0.11147558 Sunset Yellow FCF 8.3350697 8.0316343 0.30343533 suprofen 9.8089895 9.4158688 0.39312086 Surinamine 9.1489401 8.8655062 0.28343344 sutezolid 9.0129499 9.0469294 -0.033979613 swep 8.9280195 9.1598368 -0.2318165 SYBR Green I 10.9568 10.995386 -0.038586423 synephrine 9.0461502 8.8668022 0.17934799 syringetin 8.6292801 8.53055 0.098729648 syringic acid 9.0356903 9.3494511 -0.31376114 tranexamic acid 9.4998703 9.8406267 -0.34075639 T01132 8.7100601 8.6776476 0.032412842 2,4,5-T 9.0819197 9.3501329 -0.26821294 tabernanthine 8.1373501 8.3197346 -0.182385 tabimorelin 8.5778904 9.0109062 -0.43301576 tabtoxin 9.7375698 9.7160721 0.021497779 tabtoxinine beta-lactam 9.8464203 9.4623137 0.38410625 tacrine 8.5280504 8.1791925 0.34885773 tafamidis 9.5220604 9.0067949 0.51526481 tafluprost 9.3211002 9.2726507 0.0484493 TAK779 10.03797 9.6440697 0.39390045 talabostat 9.4469299 9.244112 0.20281795 talazoparib 8.6826801 9.2733545 -0.59067482 talbutal 10.42018 10.307422 0.11275867 talibegron 9.2342701 9.0506544 0.1836154 talniflumate 8.9764004 9.2051086 -0.22870839 talotrexin 8.8613396 8.8397303 0.021609541 tametraline 9.1048098 9.0313025 0.073507927 tamibarotene 8.6807003 8.8000479 -0.11934774 tangerinol 9.3915596 9.6518593 -0.26029959 tanzisertib 8.49547 8.46383 0.03164041 tapentadol 9.0630102 8.7817068 0.28130341 tapinarof 8.6384697 8.6275549 0.010914674 taprenepag 8.9790497 8.8332787 0.14577161 taprenepag isopropyl 8.9696398 9.0415287 -0.071888886 taranabant 9.3095903 9.5353956 -0.22580543 tarenflurbil 9.3746099 9.1489267 0.22568336 taribavirin 9.4744902 9.3745804 0.099909484 L-tartaric acid 11.29329 11.516797 -0.22350684 tasidotin 9.1272001 8.8661489 0.26105121 tasimelteon 8.9888897 8.9747086 0.014181701 tasisulam sodium 9.1818504 9.4393978 -0.257548 taurine 10.00434 9.9276571 0.076683305 taurocholic acid 10.01388 9.4433746 0.57050496 taurolidine 9.7781296 9.5443907 0.23373908 tavaborole 9.7828703 9.7199354 0.062934354 tazemetostat 8.8259201 8.7635689 0.062351208 tazimcarb 9.4546003 9.3200102 0.13458934 tazobactam 9.8829298 9.8585787 0.024351623 2,3,6-TBA 9.3891001 9.6212091 -0.23210941 2,4,5-T-butomethyl 9.0380802 9.0137129 0.024366973 2,4,5-T-butotyl 9.0483999 9.1257448 -0.077344902 2,4,5-T-2-butoxypropyl 9.0472097 9.0137129 0.033496972 2,4,5-T-butyl 9.0393696 9.1600494 -0.12067936 TDE 9.3693399 9.21101 0.15832967 TEA salicylate 9.3695498 9.2279587 0.14159147 tebanicline 9.2553596 9.1852207 0.070139401 tebuconazole 9.4369698 9.695509 -0.25853905 tebufenozide 9.3873301 9.4307222 -0.043392554 tebufenpyrad 9.2566605 9.0487299 0.20792995 tebufloquin 9.0155096 9.0863371 -0.070827372 tebupirimfos 9.5156002 9.2860203 0.22957969 tebutam 9.2004805 9.1772575 0.023222856 tebuthiuron 9.6512899 9.4544735 0.19681628 tecalcet 9.0674 8.735918 0.33148158 tecarfarin 9.5622797 9.678503 -0.11622309 tecastemizole 8.8046904 8.8225269 -0.017836563 tecloftalam 9.0050898 8.8573914 0.14769873 tecnazene 9.6256704 9.7719116 -0.1462419 tecoram 8.8875599 8.7590504 0.12850922 tecovirimat 10.1697 9.8267593 0.34294021 tedisamil 8.6996098 9.0350094 -0.33539975 tedizolid 8.9674501 9.4501314 -0.48268124 tedizolid phosphate 8.9348602 9.1966095 -0.26174942 teflubenzuron 9.4367504 9.5634708 -0.12672061 2,4-D-tefuryl 8.9960804 9.3747692 -0.37868938 tefuryltrione 9.5729599 9.5350008 0.037959166 tegafur 9.6010399 9.7670946 -0.16605496 tegaserod 8.1970596 8.0835581 0.11350204 telaprevir 9.31038 9.7042904 -0.39391035 telapristone acetate 8.8613396 8.5483427 0.31299773 telatinib 8.4042902 8.7689552 -0.36466542 telbivudine 9.3670902 9.5801754 -0.2130858 telmapitant 9.7377396 9.865407 -0.12766725 telmisartan 8.50214 8.476099 0.026040684 telotristat 9.09797 9.2600937 -0.16212344 temanogrel 8.5238199 8.6763573 -0.15253757 tembotrione 9.7421703 9.8354273 -0.093257129 temefloxacin 8.8552303 8.8423681 0.012861512 temephos 8.4611797 9.1028633 -0.64168298 temocapril 9.4065704 9.2729263 0.13364366 temocillin 9.5293398 9.7335014 -0.20416185 temozolomide 9.6815395 9.8629169 -0.18137689 temsavir 8.95399 9.2226591 -0.26866928 temurin 8.9158297 9.0137014 -0.09787105 tenatoprazole 9.0192699 8.6710482 0.34822232 tenidap 8.86549 8.9163647 -0.050874893 teniloxazine 9.42103 8.8438129 0.57721722 teniposide 9.0690498 9.0617409 0.0073094927 tenocyclidine 8.9898701 9.0910912 -0.10122073 tenofovir 8.8591099 9.0332441 -0.17413425 tenofovir alafenamide 8.7180996 9.1005325 -0.38243249 tenonitrozole 9.7692699 9.5503063 0.21896404 tenoxicam 8.9585104 8.9283638 0.030146241 tenuazonic acid 9.91784 9.7798233 0.13801636 TEPA 9.5226002 9.5736542 -0.051054336 tepilamide fumarate 9.6069298 9.9594126 -0.35248297 tepoxalin 8.9897404 8.6509619 0.3387785 tepraloxydim 9.48456 9.7238169 -0.23925668 teprenone 9.3416595 9.4381113 -0.096451513 terallethrin 10.00847 10.013203 -0.0047322055 terameprocol 9.0004597 9.3585758 -0.35811561 terbacil 9.09266 9.5089302 -0.41626993 terbequinil 8.8527298 9.4950018 -0.64227152 terbogrel 8.9281197 8.7135172 0.21460262 terbucarb 9.1791096 9.1921396 -0.013029886 terbufos 9.0107403 8.7818127 0.22892687 terbumeton 9.0435104 8.8519058 0.19160445 terbutaline 9.1356297 8.6311836 0.50444639 terbuthylazine 9.1130695 8.9222536 0.19081654 terbutryn 8.9584799 8.7897129 0.16876718 terephthalic acid 10.45811 10.236507 0.22160307 terfenadine 9.1043196 9.0946398 0.0096798725 teriflunomide 9.1160603 9.9324846 -0.81642425 terodiline 9.0954399 8.8423738 0.25306579 terofenamate 8.8140402 8.5825615 0.23147808 cis-terpin 10.6984 10.229875 0.46852532 gamma-terpinene 9.0023699 9.1765795 -0.17420921 terpineol acetate 9.4134502 9.7646494 -0.35119969 alpha-terpineol 9.2237101 9.619873 -0.39616302 beta-terpineol 9.8993597 9.9726114 -0.073251344 gamma-terpineol 9.2879801 9.8500509 -0.56207097 terpinolene 9.1389503 9.2510424 -0.11209258 tertatolol 8.4028902 8.4754457 -0.072556093 2-tert-butylcyclohexyl aceta10.91521 10.144616 0.77059382 4-tert-butylcyclohexyl aceta10.92033 10.150949 0.76938134 2-tert-butylcyclohexyloxybut10.29216 10.314182 -0.022021957 2-tert-butylphenol 9.0499897 9.1368999 -0.08691036 4-tert-butylphenol 8.9926004 9.0414562 -0.048855767 (4-tert-butylphenyl)acetonit9.7328997 9.8092346 -0.076335095 4-tert-octylphenol 8.9865799 9.2377195 -0.25113991 4-tert-pentylcyclohexanone 10.40358 10.477901 -0.074321091 tesaglitazar 9.0841799 9.1118498 -0.027669746 testolactone 10.34106 10.10742 0.23363975 testosterone 10.05298 9.8662262 0.18675354 1-testosterone 10.44421 10.043563 0.40064749 testosterone decanoate 10.07891 9.734252 0.3446576 testosterone isocaproate 10.07173 9.7148838 0.3568466 testosterone propionate 10.07608 9.8913183 0.18476155 testosterone undecanoate 10.0802 9.7208958 0.35930386 tetcyclacis 9.1564198 9.7976942 -0.64127398 2,4,5-T-2-ethylhexyl 9.0488005 9.0713644 -0.022564756 tetraacetyl ethylene diamine9.8549004 9.7898226 0.065077052 1,3,5,7-Tetraazatricyclo(3.39.8126202 9.1359558 0.67666465 tetrabarbital 10.66548 10.357499 0.30798095 2,2',5,5'-tetrabromobiphenyl9.6507502 9.6831236 -0.03237316 tetracaine 8.77736 8.8463345 -0.068974622 1,2,3,4-tetrachlorobenzene 9.2798901 9.2828636 -0.0029734182 1,2,3,5-tetrachlorobenzene 9.2983599 9.2536345 0.044725239 1,2,4,5-tetrachlorobenzene 9.1862402 9.2536345 -0.067394756 2,2',5,5'-tetrachlorobipheny9.2026501 9.0754919 0.12715764 tetrachlorothiophene 9.1068401 8.9578247 0.1490155 tetrachlorvinphos 8.9291801 8.9897585 -0.060578793 tetraconazole 9.7197504 10.018236 -0.29848579 tetracosane 11.26336 11.147212 0.11614772 tetradecane 11.26566 10.833772 0.43188864 1-tetradecene 10.04264 10.351116 -0.30847624 tetradecylamine 9.3957901 9.7276707 -0.33188102 tetradifon 9.56215 9.7861214 -0.22397178 tetraethylammonium 16.0317 16.150936 -0.1192353 tetraethylene glycol 10.61485 10.566278 0.048572179 tetraethylene glycol diethyl10.57102 10.664685 -0.093665168 tetraethylene glycol dimethy10.60578 10.804224 -0.19844371 tetraethylenepentamine 9.3000603 8.9214716 0.3785885 tetraethyl orthosilicate 9.9497204 10.006277 -0.056557477 tetrafluoron 9.0768604 9.1822281 -0.10536788 1,3,3,3-Tetrafluoropropene 11.56707 11.613331 -0.046261132 2,3,3,3-tetrafluoro-1-propen11.54043 11.059693 0.48073646 trans-1,3,3,3-tetrafluoro-1-11.56812 11.613331 -0.045211129 tetraglycine 9.8958197 9.5006123 0.39520812 tetrahydrocitral 10.53441 10.358572 0.17583847 1-(1,2,3,4-tetrahydro-4,4-di9.4344702 9.5184088 -0.083938643 tetrahydrofolic acid 8.3238401 8.6022568 -0.27841631 tetrahydrofuran 10.2881 10.615063 -0.32696241 tetrahydrofurfuryl methacryl10.47229 10.316189 0.1561012 1-(5,6,7,8-tetrahydro-3,5,5,9.3906698 9.4538746 -0.063204922 tetrahydro-2H-1,3-thiazine 9.0933599 8.9318476 0.1615126 tetrahydro-4-methyl-2-(2-met10.43843 10.5393 -0.10086963 2-(Tetrahydro-5-methyl-5-vin10.21338 10.017215 0.19616476 tetrahydronaphthalene 9.2482204 9.53016 -0.28193977 1-(5,6,7,8-tetrahydro-2-naph9.5105 9.6737623 -0.16326213 tetrahydro-3-pentyl-2H-pyran10.81516 10.633753 0.18140726 tetrahydropyran 10.59786 10.626409 -0.0285485 1,2,3,6-Tetrahydropyridine-a9.6783104 9.351182 0.32712832 tetrahydrothiophene 8.7951899 8.9198074 -0.12461754 tetrahydrozoline 9.1852303 9.113883 0.071347199 tetralin 9.2463903 9.53016 -0.28376979 tetralin-5-ol 8.9821196 9.2803907 -0.29827079 tetralinylaminopropane 9.1321697 8.9908009 0.1413689 alpha-tetralone 9.7315998 9.6914635 0.040136937 1-(2,3,8,8-tetramethyl-1,2,39.5355501 9.7488699 -0.21331963 tetramethylfluthrin 10.14763 9.9659109 0.18171939 2,2,5,5-tetramethylhexane 11.15983 11.25286 -0.093030147 3,5,6,6-tetramethyl-4-methyl10.08006 9.497056 0.58300376 2,2,7,7-tetramethyloctane 10.99114 11.259215 -0.26807544 1,1,3,3-tetramethylurea 9.5078402 9.5132666 -0.005426818 tetranitraoxycarbon 13.27589 12.830606 0.44528309 tetrantoin 9.68116 9.6859198 -0.0047597555 tetrapion 9.5810003 9.5810003 -3.9541703E-12 tetrapotassium EDTA 6.1264801 6.1264801 2.0748114E-10 tetrapotassium pyrophosphate5.1247201 5.1247201 -3.4773606E-10 tetrasodium EDTA -6.6479502 -6.6380162 -0.0099336226 tetrasodium etidronate 5.0963402 5.2583055 -0.16196541 tetrasodium N,N-bis(carboxyl7.0845699 6.7952304 0.28933951 tetrasul 9.0699997 8.5534906 0.51650894 1H-tetrazole 11.07277 10.315063 0.75770712 tetrodotoxin 8.8280001 9.2503233 -0.42232293 tetroxoprim 8.8258896 8.7430725 0.082817703 Texas Red 8.73349 8.8243361 -0.090846457 tezacaftor 8.3394098 8.1253996 0.21401003 tezampanel 9.4618502 9.2033653 0.25848511 thalidomide 10.24333 10.055989 0.1873409 thanite 9.8472996 10.122036 -0.27473581 theanine 9.60075 9.5489674 0.051782269 thenylchlor 9.22787 9.0777073 0.15016273 thenyldiamine 8.8577499 8.8395996 0.018150758 theobromine 9.0685902 8.8761654 0.19242497 theophylline 9.1214304 9.090827 0.030602865 thiabendazole 8.8127403 8.9925909 -0.17985117 thiacetazone 8.5771904 8.7201223 -0.1429324 thiacloprid 9.59583 9.4581013 0.13772911 thiadifluor 9.0335102 9.3567762 -0.32326612 thiadiazole 10.80911 10.146169 0.66294163 thiamethoxam 9.8213396 9.5719481 0.24939169 thiamiprine 8.9828396 9.4776182 -0.49477825 thiamphenicol 10.21026 9.7668953 0.44336465 thiamylal 9.3927603 9.5272722 -0.13451192 thianaphthene 8.7994299 8.6551895 0.1442409 thiane 8.8866301 8.6376228 0.24900703 thiapronil 8.52738 8.9228487 -0.39546847 thiazafluron 9.8064804 9.536541 0.26993895 1,4-Thiazane-5-carboxylic ac9.50214 9.6546936 -0.15255383 1,3-thiazepine 8.5172901 8.8329105 -0.3156203 1,4-thiazepine 8.4642801 8.8574753 -0.3931956 thiazesim 8.6982002 8.6805382 0.017661534 1,4-thiazine 7.81739 9.2820292 -1.4646395 thiazole 10.01546 9.3612261 0.65423357 thiazolidine 8.9346504 9.1649189 -0.23026876 thiazolidinedione 10.18968 10.138836 0.0508442 thiazolobenzimidazole (TBZ) 9.0352497 8.9573526 0.077897049 thiazolsulfone 9.1776896 8.9505939 0.22709571 3-(2-thiazolyl)-DL-alanine 9.6944199 9.7031136 -0.008693127 thiazopyr 9.6284504 9.725708 -0.097257704 thibenzazoline 8.5453596 8.8720284 -0.32666853 thicrofos 8.5824203 8.6945114 -0.11209098 thicyofen 9.7955599 9.6913996 0.10416012 thidiazuron 9.4564104 9.4278784 0.02853116 thienamycin 8.4340897 8.4340897 6.6059158E-11 thiencarbazone 9.55546 9.7319813 -0.1765216 thiencarbazone-methyl 9.5545998 9.6761522 -0.12155242 3-(2-thienyl)-L-alanine 9.5574303 9.3350973 0.22233298 thietane 8.9488497 9.2114763 -0.2626262 thiete 8.9846201 9.1292353 -0.14461501 thifensulfuron-methyl 9.6739502 9.1747036 0.49924603 thifluzamide 9.5466003 9.5344734 0.012126108 thiirane 9.2343102 9.5167294 -0.28241983 thiirene 8.7196798 9.1832285 -0.46354884 thioacrolein 9.03162 9.5326424 -0.50102258 thiobarbital 9.4180098 9.7635212 -0.34551099 thiobencarb 9.2655001 8.8580885 0.40741199 thiobutabarbital 9.3907099 9.8533382 -0.46262839 thiocarbarsone 9.0250101 8.7273273 0.297683 thiochlorfenphim 9.2796001 9.1487093 0.13089067 p-thiocresol 8.6562405 9.0071373 -0.3508971 thioctic acid 8.4898396 9.1024437 -0.61260366 thiodicarb 9.1957197 9.2156725 -0.019952519 thiodiglycol 9.0018797 9.6071272 -0.60524678 thiodipropionic acid 9.3261099 10.208127 -0.88201672 thiofanox 9.1243496 8.7404222 0.38392806 thiofentanyl 9.1654396 8.9641085 0.20133118 thioguanine 8.7702999 8.7819014 -0.011600955 thiolactamycin 9.3074303 9.2130585 0.094371878 thiolactic acid 9.6192503 9.9400988 -0.32084903 2-Thiolhistidine 8.7431498 9.2222233 -0.47907346 thiometon 9.1203804 9.1361036 -0.015723219 thiomorpholine 8.9131603 8.9710169 -0.057856832 thiopental 9.9074202 9.6359091 0.27151081 thiopental sodium 8.4795399 8.4795399 6.9650952E-12 thiophanate 8.8598804 8.5743294 0.28555077 thiophanate methyl 8.6955605 8.8151293 -0.1195692 thiophene 9.5430698 8.5568838 0.98618615 thiophenol 8.7817802 9.1447639 -0.36298433 thiopropionic acid 9.4524899 10.100376 -0.64788568 thioquinox 9.3526201 9.0819826 0.27063766 thiostreptine 9.4846697 9.4874887 -0.0028184685 thiosulfate -6.7783899 -6.7783899 -4.7499782E-12 thioTEPA 9.0900497 8.8258648 0.2641854 thiram 7.6758099 7.7558861 -0.080075845 thioridazine 7.81984 7.633986 0.18585393 Threo-a-amino-B,g-dihydroxyb9.7910404 9.9305687 -0.13952906 Threo-a,B-diaminobutyric aci9.6466198 9.5653219 0.0812978 L-Threo-B-hydroxyleucine 9.5723896 10.051521 -0.47913155 Threo-B-phenylserine 9.6878901 9.3606777 0.32721186 L-threonine 9.7959204 9.8969231 -0.10100296 thromboxane A2 9.9076796 9.9816504 -0.073969908 thromboxane B2 9.7298203 10.027978 -0.29815745 thujone 10.46657 9.9161243 0.55044526 thuringiensin 9.1476202 8.8649082 0.28271136 thymine 9.43647 9.4756117 -0.039141275 thymol 8.94382 9.0599947 -0.11617471 thymol blue 9.0227404 9.2752409 -0.25250098 thymolphthalein 9.0453596 9.07304 -0.027679967 thymoquinone 10.73851 9.8687687 0.86974174 thyrotropin-releasing hormon9.4975405 9.4449234 0.052616362 tiabendazole 8.82055 8.9925909 -0.17204116 tiadinil 8.9308395 9.3614998 -0.43065944 TIBO 8.7775402 8.4342937 0.34324595 ticagrelor 8.9791698 8.6123428 0.36682674 ticarcillin 9.5836401 9.717658 -0.13401803 TIFATOL 8.4999399 8.6216211 -0.12168144 tigemonam 8.9507303 8.9507303 2.6748026E-10 tilidine 9.0481501 9.1622105 -0.11406048 tilmacox 9.4298201 9.4860706 -0.0562509 tiludronic acid 9.0063801 9.1741037 -0.16772333 timolol 9.0132799 8.9342737 0.079006009 tinidazole 10.52817 10.084949 0.44322044 tinofedrine 8.7692499 7.9853692 0.78388071 tiocarbazil 9.25984 9.0515957 0.20824473 tioclorim 8.7661505 8.7509575 0.015192246 tioconazole 9.2736998 8.7683086 0.50539136 tiospirone 9.0243597 9.5270185 -0.50265902 tiotropium bromide 7.5073299 7.5073299 5.3211924E-10 tioxidazole 8.7685299 8.9808331 -0.2123027 tioxymid 8.7184 8.7432661 -0.02486581 tipelukast 9.11415 8.9768467 0.13730304 tipifarnib 8.9071903 8.8123503 0.094840162 tipiracil 8.9488602 9.127037 -0.17817695 tiplasinin 8.6122398 8.6906004 -0.078360267 tipranavir 9.62218 9.418498 0.20368189 tirofiban 9.3798399 8.9408579 0.43898216 Tiron 8.4259501 8.467679 -0.041728552 tiropramide 8.99895 9.1391478 -0.14019756 2,4,5-T-isobutyl 9.0364304 9.2831545 -0.24672465 tisocalcitate 8.4520903 8.6690454 -0.21695553 2,4,5-T-isooctyl 9.0448399 9.1690674 -0.12422757 2,4,5-T-isopropyl 9.0242701 9.3112507 -0.28698021 tivantinib 8.2997799 8.5578899 -0.25810969 tivozanib 8.8916502 8.9640293 -0.072379418 tizanidine 8.8401098 8.6631155 0.17699422 2,4,5-T-methyl 9.0419502 9.3172817 -0.27533156 TNAZ 11.80186 11.80186 3.4289016E-11 tocainide 9.1209202 8.7292271 0.39169255 tocamphyl 9.3704205 9.4740047 -0.10358518 toceranib 8.5324402 8.2246857 0.30775455 toclofos methyl 9.0657902 8.7854042 0.28038561 tocol 8.5791502 8.5093975 0.069752477 tocopherol acetate 8.6725197 8.910449 -0.23792879 alpha-tocopherol 8.3649101 8.5380917 -0.17318124 beta-tocopherol 8.4317799 8.4588118 -0.027032169 gamma-tocopherol 8.4469204 8.4943066 -0.047386397 delta-tocopherol 8.5186596 8.4772758 0.041384604 todralazine 9.5800104 9.1348553 0.44515517 tofacitinib 8.7599497 8.6774464 0.082504004 tofenacin 9.2096701 8.9640398 0.24563035 tofimilast 8.8153296 8.7761068 0.039223064 tofogliflozin 9.3341904 9.3137455 0.020444067 tolazamide 9.7241402 9.3912172 0.33292231 tolazoline 9.1719599 9.2083292 -0.036369007 tolbutamide 9.6910105 9.7056694 -0.014659018 tolcapone 9.8185301 9.780057 0.038473319 tolciclate 8.5959396 8.7089739 -0.11303414 tolfenamic acid 8.72931 8.6285992 0.10071055 tolfenpyrad 9.1182404 8.9919548 0.12628509 tolindate 8.5890398 8.5536804 0.035359763 tolmetin 9.2443104 8.9622421 0.28206801 tolonidine 8.4105597 8.4466486 -0.036088787 tolonium chloride 7.5004401 7.7887077 -0.28826773 toloxatone 9.3286505 9.5603037 -0.23165366 tolterodine 8.9005299 8.6699905 0.23053968 toltrazuril 9.1181898 9.2395458 -0.12135583 p-tolualdehyde 9.7633696 9.7798481 -0.016478539 o-toluamide 9.60007 9.3485689 0.25150073 toluene 9.4446898 9.5185127 -0.073822439 toluene-2,5-diamine sulfate 8.0214901 8.2871313 -0.2656416 toluene 2,4-diisocyanate 8.9918299 9.3131256 -0.32129574 2,6-toluene diisocyanate 9.2309599 9.3305044 -0.099544249 toluene sulfonic acid 10.28017 9.7597122 0.5204578 o-toluic acid 9.81145 9.8346539 -0.023203559 p-toluic acid 9.8649502 9.8061094 0.058840137 p-toluidine 8.45998 8.6349268 -0.17494717 p-tolunitrile 9.7987499 9.7356291 0.063120909 tolyfluanid 9.5422401 9.3479929 0.19424719 TOMACON 9.5826397 9.1260777 0.45656249 tonapofylline 9.02806 8.9612427 0.066817634 topiramate 10.80462 10.128483 0.67613697 topramezone 9.8349199 9.659873 0.17504716 torasemide 8.8612499 9.1859236 -0.32467356 torcetrapib 9.5194397 9.0932999 0.42614031 torcitabine 9.2179298 9.1956463 0.022284176 toreforant 8.4144096 8.3277588 0.08665137 torezolid 8.8338203 9.4501314 -0.61631125 tosedostat 9.9216995 9.5021296 0.41957042 tosufloxacin 9.1364899 9.1461458 -0.0096561834 totrombopag 8.4734697 8.210187 0.26328349 toxaphene 10.1074 9.8082075 0.29919252 toxol 9.3378201 9.2667246 0.071095243 tozasertib 8.5067701 8.7974567 -0.29068691 2,4,5-T-pentyl 9.0266504 9.1605577 -0.13390805 tralkoxydim 9.2602901 9.2301216 0.030168401 tramadol 9.1427002 8.8980198 0.24468048 tramazoline 8.7612 8.4904566 0.27074385 tramiprosate 9.7130604 9.8398933 -0.12683298 trans-a-(Carboxy-cyclopropyl10.03733 9.8720398 0.16529022 trans-a-(2-Carboxy-methylcyc9.9700403 9.6573553 0.31268451 transcrocetinate sodium 7.1753302 7.1753302 -9.4251718E-11 transfluthrin 9.53547 9.5913029 -0.055832852 tranylcypromine 9.5028601 9.1801043 0.32275578 trazodone 8.6219597 8.9908037 -0.36884412 trefentanil 9.2608995 9.1638336 0.097066551 trehalose 10.88878 10.698947 0.18983309 trelagliptin 9.6605501 9.3883438 0.27220613 tremetone 9.2600698 9.2155409 0.044529159 treosulfan 11.0558 10.695685 0.36011505 trepibutone 9.2792597 9.2291594 0.050101072 treprostinil 9.2825899 9.8002768 -0.51768661 tretamine 9.6481104 9.4938421 0.15426813 tretinoin 8.3971901 8.5546885 -0.15749869 triacetin 11.25029 10.909707 0.34058285 triacontanyl palmitate 11.16972 10.740249 0.42947137 triacontyl acetate 11.25284 11.277652 -0.024811598 triadimenol 9.5615501 9.7046518 -0.1431019 triafamone 10.33233 9.6414776 0.69085205 triallate 9.1886301 9.4932766 -0.30464649 3,4,5-triaminopyridine 8.4547997 9.0325327 -0.57773316 triamiphos 8.7265596 9.109004 -0.38244435 triamterine 8.6157999 8.6797409 -0.063940801 triapenthenol 9.9351597 9.3933487 0.54181087 triarathene 8.7981901 8.4744625 0.3237277 triarimol 9.4725399 9.4871407 -0.014600818 triasulfuron 9.7030897 9.6395874 0.063502215 triazabicyclodecene 8.6722298 9.044384 -0.37215436 triazamate 9.2129803 9.1028891 0.11009093 triaziflam 9.0721598 9.0667839 0.0053757997 1,3,5-triazinane 9.1041498 9.2726641 -0.16851383 1,3,5-triazine 10.79014 10.991412 -0.20127212 triazinetriethanol 9.0812702 9.0006104 0.080659643 triaziquone 9.2257099 9.0372028 0.1885075 triazolam 9.6004801 9.3392048 0.26127517 1,2,3-triazole 10.28723 9.5617666 0.72546375 1,2,4-triazole 10.39589 9.9976864 0.398204 triazophos 9.1905203 9.3413963 -0.15087645 triazoxide 9.4069796 9.4069796 1.3868373E-10 tribenuron-methyl 9.5941296 9.7062263 -0.11209589 tribenzoin 10.05704 9.7205896 0.33645001 1,3,5-tribromobenzene 10.13529 10.027004 0.10828558 2,4,6-tribromobiphenyl 9.4695196 9.5453863 -0.075866044 2,4,6-tribromo-m-cresol 9.4526701 9.6745338 -0.22186427 3,4',5-tribromosalicylanilid8.98489 9.0973425 -0.11245288 tribufos 9.3627701 8.9899921 0.37277767 tributoxyethyl phosphate 10.52545 10.198034 0.32741573 tributyl citrate 11.05877 10.912663 0.14610623 tributyl phosphate 10.62879 10.362346 0.26644456 tributylphosphine 8.90627 9.0189915 -0.11272133 tricamba 9.4771299 9.4092913 0.067838944 trichlamide 9.6439695 9.6385641 0.0054055224 trichlorfon 10.51009 10.20145 0.30863917 2,4,6-trichloroanisole 9.4116697 9.0698166 0.34185347 1,2,3-trichlorobenzene 9.37988 9.3643608 0.015518779 1,2,4-trichlorobenzene 9.2404699 9.3351326 -0.094662562 1,3,5-trichlorobenzene 9.5832796 9.3059034 0.27737609 2,3,6-trichlorobenzoic acid 9.4067698 9.6212091 -0.21443942 2,4,5-trichlorobiphenyl 8.9542799 8.9962063 -0.041926581 1,2,4-trichlorodibenzo-P-dio8.8589697 9.1135139 -0.25454354 trichlorodinitrobenzene 10.44945 10.182066 0.26738426 trichloromelamine 9.6610403 10.502321 -0.84128141 trichloronate 9.0896502 8.623374 0.46627584 2,4,6-trichlorophenol 9.1312704 9.1517258 -0.020455828 3'4'5-trichlorosalicylanilid8.9960003 8.6648779 0.33112201 2,2',2''-trichlorotriethylam9.8285198 9.9231977 -0.094677426 trichlorourethane 10.19898 10.513255 -0.31427559 tricholomic acid 9.9966297 10.116502 -0.11987182 tricine 9.9129496 10.402175 -0.48922473 triclocarban 8.9312296 8.3803425 0.55088711 triclocarbanilide 8.7055597 8.3803425 0.3252171 triclofos 10.6574 10.581587 0.075813323 triclopyr 9.2217598 9.5267038 -0.30494386 triclopyricarb 9.0377102 9.1971779 -0.15946747 triclosan 8.9533997 8.8061838 0.14721605 tricresyl phosphate 8.9539804 8.7541552 0.19982509 tricyclazole 9.0581198 9.1075144 -0.04939454 tricyclodecenyl acetate 9.55968 9.8010054 -0.24132562 tricyclodecenyl isobutyrate 9.5581999 9.8369312 -0.27873132 tricyclodecenyl propionate 9.61728 9.79774 -0.18045972 delta-tridecalactone 10.80405 10.856293 -0.052242488 tridecane 11.22027 10.821116 0.39915356 2-tridecenenitrile 10.34871 9.9402065 0.40850365 TRIDEX (dimethyldithiobisthi8.44769 8.2231445 0.22454523 tridiphane 9.5974998 9.6273527 -0.029852835 trietazine 9.1563702 9.0433168 0.11305347 triethanolamine 9.3588495 9.7767296 -0.41787919 triethylamine 9.0408602 9.4371061 -0.39624658 triethyl citrate 11.06549 10.895984 0.16950673 triethylene glycol 10.60728 10.517504 0.089776143 triethylene glycol dibenzoat10.10825 9.8726645 0.23558575 triethylene glycol dimethacr10.56847 10.380359 0.1881112 triethylene glycol dimethyl 10.59749 10.732473 -0.13498345 triethylene glycol ethyl eth10.56718 10.624814 -0.05763419 triethylenemelamine 10.01763 9.4938421 0.52378815 Tris(1-aziridinyl)phosphine 9.4850597 9.5736542 -0.08859434 triethylenethiophosphoramide9.0816097 8.8258648 0.25574541 triethyl phosphate 10.70574 10.808909 -0.10316955 trifarotene 8.9155703 8.4271622 0.48840776 trifenmorph 9.2299805 8.9784966 0.25148359 trifenofos 8.9730597 8.5762129 0.39684707 trifloxystrobin 9.6720695 9.4655447 0.2065253 trifloxysulfuron 9.1592102 9.2750244 -0.11581467 triflumizole 9.5827303 9.4408178 0.14191209 triflumuron 9.5517397 9.204751 0.3469891 trifluoromethylbenzene 10.33301 10.338904 -0.005893907 3-trifluoromethylphenylpiper9.2638798 9.4305592 -0.16667902 1-(4-(Trifluoromethyl)phenyl9.4143295 9.4305592 -0.016229028 trifluralin 10.19257 10.134928 0.057642017 trifluridine 10.01648 10.11422 -0.097739443 triflusal 10.42609 10.401521 0.02456883 triflusulfuron-methyl 9.1789598 9.3934727 -0.21451242 trifopsime 9.1290798 9.2054586 -0.076378211 triforine 9.7201796 9.9125471 -0.19236755 triisopropanolamine 9.3037796 9.8362074 -0.53242755 trilobatin 9.0444603 9.1859884 -0.14152816 trimedlure 10.50756 10.142934 0.36462569 trimethacarb (H variant) 9.4481697 9.1170673 0.33110231 trimethadione 10.48506 10.207307 0.27775297 trimethobenzamide 9.2567997 8.8020248 0.45477495 2,4,5-trimethoxyamphetamine 8.41714 8.7265224 -0.30938208 2,4,6-trimethoxyamphetamine 8.8464603 8.7265224 0.11993793 3,4,5-trimethoxyamphetamine 9.0942202 8.7265224 0.36769792 N-(3-(Trimethoxysilyl)propyl9.1142998 8.943718 0.17058189 trimethoxyvinylsilane 9.7268801 10.051454 -0.32457313 2-Trimethylaminoethyl-betain8.2869196 8.3399267 -0.053006858 1,2,3-trimethylbenzene 9.2526102 9.3709259 -0.11831618 1,2,4-trimethylbenzene 9.0789404 9.3225689 -0.24362928 (1,7,7-trimethylbicyclo(2.2.10.68386 10.478098 0.20576185 trimethylcyclododeca-5,9-die9.7525501 9.9648066 -0.21225625 alpha,3,3-trimethyl-1-cycloh11.03759 10.41687 0.62071949 1-(2,4,4-trimethyl-2-cyclohe9.6466799 9.761157 -0.11447749 1-(3,5,6-trimethyl-3-cyclohe9.52314 9.3076038 0.2155363 1-(2,6,6-trimethyl-2-cyclohe9.4322796 9.5831661 -0.15088618 alpha,3,3-trimethylcyclohexy11.09311 10.433407 0.65970314 3,4,4-trimethylcyclopentane-10.17873 10.292522 -0.11379283 trimethylcyclopentenylmethyl9.4459801 9.7756863 -0.32970646 e-N-Trimethyl-d-Hydroxylysin7.5713301 7.8840871 -0.3127571 3,5,5-trimethylhexyl acetate11.119 10.671893 0.44710699 2,3,3-trimethylindan-1-one 9.8347101 9.5394306 0.29527947 e-N-Trimethyllysine betaine 8.2353497 7.4985528 0.73679739 trimethylolpropane 10.48978 10.476748 0.013031495 6,10,14-trimethylpentadecan-10.67026 10.265032 0.40522856 2,2,4-trimethyl-1,3-pentaned10.76274 10.412331 0.35040984 2,2,4-trimethyl-1,3-pentaned11.00258 10.323433 0.67914742 2,2,4-trimethyl-1,3-pentaned10.85054 10.514565 0.3359741 2,2,4-trimethylpentanol 10.90696 10.494348 0.41261247 1,1,3-trimethyl-3-phenylinda9.4072599 8.9304924 0.47676751 trimethyl phosphate 10.74082 10.1724 0.56841928 2,2,6-trimethyl-alpha-propyl10.83303 10.698231 0.13479905 1,3,5-trimethyl-1,3,5-triazi8.8202105 9.0800905 -0.25988007 trinexapac 9.9454803 10.625181 -0.67970079 trinexapac-ethyl 9.9359798 10.604084 -0.66810423 1,2,4-trioxane 11.01735 11.408563 -0.39121234 1,3,5-trioxane 10.86649 10.960344 -0.093854502 trioxifene 8.7827396 8.9187899 -0.13604991 triphenylene 8.7674198 8.4488077 0.31861258 triphenylmethane 9.4196796 8.8743668 0.54531288 triphenyl phosphate 9.1379404 8.7758551 0.36208516 triphenyl phosphine oxide 9.7603102 9.8194637 -0.059153404 tripropindan 9.27596 9.2928267 -0.016866924 tripropylamine 9.1428699 9.15446 -0.011589561 tripropylene glycol methyl e10.60568 10.358644 0.24703544 tripropyl phosphate 10.49092 10.808909 -0.31798956 triptolide 10.32005 10.212062 0.10798785 TRISAMBER® 10.36607 10.405272 -0.0392019 tris(2,3-dibromo-1-propyl) p10.92236 10.415573 0.50678641 2,4,6-tris(dimethylaminometh8.9242296 8.8837404 0.040489364 trisodium citrate 7.8207798 6.7738671 1.0469128 trisodium etidronate 7.1256599 7.199337 -0.073677041 Trisodium HEDTA 6.9567499 7.2824187 -0.32566866 trisodium nitrioltriacetate 7.6988201 6.8526478 0.84617203 1,3,5-Tris(trifluoropropyl)t9.2203999 9.2283831 -0.0079826191 1,3,5-trithiane 9.3404198 8.9416447 0.39877498 triticonazole 9.2145901 9.3886871 -0.17409706 tritosulfuron 10.16726 10.07194 0.095319286 troclosene potassium 8.7846203 8.4590464 0.32557365 troclosene sodium 9.2123299 8.9554596 0.25687081 trofosfamide 9.5216999 9.5598564 -0.038156889 trofosfamide 9.5862598 9.5598564 0.02640311 troglitazone 8.3994303 8.6996279 -0.30019823 tromantadine 9.18363 9.3553076 -0.17167804 tromethamine 9.9210997 10.222513 -0.30141279 Tropaeolin O 8.5900698 8.4013519 0.18871804 Tropaeolin OO 8.2339802 8.128355 0.10562477 tropane 8.9607801 9.4436741 -0.482894 tropantiol 9.0363903 9.2726717 -0.23628156 tropinone 9.55616 9.5121107 0.044048961 tropisetron 8.6907301 8.4694967 0.22123317 tropolone 9.0144701 8.7726231 0.24184659 tropone 9.4123697 9.044919 0.36745101 tropoxane 9.2332201 9.8099575 -0.57673752 trospium 11.49698 11.798351 -0.30137134 trovafloxacin 8.74652 9.2132349 -0.46671507 troxacitabine 9.3795204 9.427104 -0.047584314 troxipide 9.2348099 8.8417635 0.39304623 Troysan 142 8.8482399 8.8272247 0.021015564 Troysan 174 9.2497597 9.2421188 0.0076413746 Troysan 192 9.6386299 9.7090139 -0.0703841 trunc-call component 1 9.1376495 9.7943373 -0.65668714 trunc-call component 2 10.04391 10.149152 -0.10524178 tryparsamide 11.09414 11.023212 0.070927486 tryptamine 8.2401505 8.343751 -0.1036011 tryptophan betaine 8.5336199 8.7622776 -0.22865802 D-tryptophan 8.5034399 8.5992565 -0.095816545 L-tryptophan 8.5127001 8.5992565 -0.086556546 TSMTB 9.2671404 9.2353964 0.03174353 tuamnoheptane 9.4822903 9.7403603 -0.25807062 tuberactidine 9.3373699 9.2019138 0.13545606 tubercidin 8.7622499 8.5770407 0.18520939 tuberin 8.37918 8.7937727 -0.41459236 tuberolide 11.06728 10.791352 0.27592731 tubocararine 7.63976 7.63976 4.2958614E-09 tucidinostat 8.6950197 8.6496353 0.045384791 turanose 10.53259 10.867777 -0.33518708 turicine 9.0181503 9.0860758 -0.067925625 alpha-turmerone 9.2285004 8.9309492 0.29755101 twistane 10.69335 10.131474 0.56187624 tybamate 9.9447098 9.5971899 0.3475197 tymazoline 9.06703 9.0495949 0.017435521 tyramine 9.0464697 8.6964884 0.3499814 L-tyrosine 9.1944504 9.095067 0.099382587 m-Tyrosine 9.2336798 9.095067 0.13861258 Tyrosine-O-sulfate 9.6277599 9.4026089 0.22515099 tyrosol 8.97616 9.1448231 -0.16866332 Tyrphostin 9 9.1752996 9.1612396 0.014060501 Tyrphostin AG-1478 8.7614899 8.4680805 0.29340962 U 0126 8.9278297 8.4619598 0.46587014 ubenimex 9.3449097 9.4709787 -0.12606864 UBI S-734 9.1561499 9.1561499 -9.1838892E-10 udenafil 8.7474203 8.9336281 -0.18620767 ulipristal 8.5408802 8.6451569 -0.10427667 ulipristal acetate 8.5865698 8.6092606 -0.022690324 umeclidinium 11.6545 11.485178 0.16932184 umespirone 8.8310804 8.8446121 -0.013532571 undecanal 10.63231 10.574957 0.057353411 undecane 11.22119 10.810237 0.41095322 1-undecanol 10.88979 10.514427 0.3753626 2-undecanol 11.04258 10.554832 0.48774832 2-undecanone 10.68168 10.509837 0.17184247 1,3,5-undecatriene 8.6886797 8.7112665 -0.022586437 10-undecenal 10.0954 10.066699 0.028700788 undec-4-enal 9.8245401 10.224878 -0.40033862 8-undecenal 9.7257795 9.9341097 -0.20832926 undec-9-enal 9.6779099 10.00158 -0.32367015 undecylenamide DEA 9.4343901 9.5660038 -0.13161398 undecylenamide MEA 9.6311197 9.5032768 0.12784334 undecylenic acid 10.07577 10.227903 -0.15213333 uniconazole 9.2941704 9.4919081 -0.19773848 uniconazole-P 9.3344097 9.4680176 -0.13360743 uprifosbuvir 9.2164698 9.15236 0.064110398 uprosertib 9.0516195 8.9864368 0.065183572 uracil 9.7098598 9.5937443 0.11611576 3-(1-Uracyl)-alanine 9.6460304 9.8765106 -0.23048091 uramustine 9.6837902 9.4361124 0.24767806 urbacide 7.8419499 7.4731264 0.36882338 urea 9.6182299 9.8839102 -0.26568028 urea hydrogen peroxide 9.4386101 9.7001638 -0.26155376 uredepa 9.8056402 9.7562313 0.049408611 urethane 9.9169197 10.490705 -0.57378584 uric acid 8.8418398 8.7262297 0.11561012 uridine 9.7100697 9.6071386 0.10293132 uridine triacetate 9.65275 9.9229431 -0.27019355 5'-uridylic acid 9.6437702 9.4509954 0.19277456 ursolic acid 9.4215603 9.760273 -0.33871344 urushiol 8.8006897 9.0936022 -0.29291266 usistapide 8.7566996 8.7405348 0.016164927 usnic acid 9.2403402 8.7953281 0.44501165 vabicaserin 8.7361498 8.7270288 0.0091209812 vaborbactam 9.3250103 9.2840891 0.040921174 vadadustat 9.3513298 9.1174278 0.23390183 vadimezan 9.1455002 9.3508406 -0.20534015 valacyclovir 8.7117004 8.7482882 -0.036588568 valategrast 8.6318502 9.0349789 -0.40312877 valdecoxib 9.8205404 9.5440826 0.27645773 delta-valerolactam 9.5515604 10.063296 -0.51173657 delta-valerolactone 10.87235 10.887011 -0.014660822 gamma-valerolactone 11.16317 10.881657 0.28151342 valganciclovir 8.6700897 8.375308 0.29478201 validoxylamine A 9.7479496 9.5919037 0.15604618 valienamine 9.56493 9.7325487 -0.16761854 valifenalate 9.5423603 9.4596672 0.082692385 L-Valine 9.8668003 9.5651865 0.30161393 valopicitabine 9.3287897 9.1262369 0.20255311 valproic acid 11.2152 11.022845 0.19235478 valpromide 9.7004404 10.13555 -0.4351106 vamidothion 9.3207502 8.9127455 0.40800464 Vancide TH 8.7845001 8.9025221 -0.11802209 vandetanib 8.4683905 8.560235 -0.091844626 vaniliprole 9.4197998 9.1217337 0.29806665 vanilla cresol 8.8035803 9.0178175 -0.21423733 vanillic acid 9.5058002 9.4322348 0.073564783 vanillin 9.4173098 9.4059734 0.011336111 vanillyl alcohol 8.7180595 9.1709242 -0.45286384 vanitiolide 8.6618204 8.6396828 0.022137014 varespladib 8.4115496 8.6503611 -0.23881109 vatalanib 8.4363298 8.5985041 -0.16217366 vatiquinone 9.4114199 9.4618959 -0.050475504 vedaprofen 8.7879496 9.3233576 -0.5354073 veledimex 9.2995996 9.3245859 -0.024985533 veliflapon 9.1873903 8.8754816 0.31190807 veliparib 9.0474901 8.6239252 0.42356482 velnacrine 8.5222197 8.3066778 0.21554266 velneperit 9.4794998 9.4194269 0.060072903 velusetrag 9.0735598 9.2300997 -0.15653984 venlafaxine 8.7874498 9.1044483 -0.31699803 veralipride 9.2214003 9.2125473 0.0088524623 verazide 8.7501001 9.0546551 -0.30455467 S-cis-verbenol 9.6460199 9.5279417 0.11807872 d-verbenone 10.04077 10.019824 0.020946216 vercirnon 9.0386295 9.2295952 -0.19096535 Verdantiol 9.3958902 9.2013388 0.19455129 verdinexor 9.0911999 9.263092 -0.1718922 vericiguat 8.9286203 8.3874207 0.54119968 vernakalant 8.9732304 9.1214685 -0.14823848 Vernaldehyde 9.4909201 9.7958803 -0.3049604 vernolate 9.24438 9.3939981 -0.14961782 vernolepin 10.73736 10.32964 0.40771988 verosudil 8.5345097 8.0224485 0.512061 verubulin 8.6241703 8.6884203 -0.064250052 verucerfont 8.4869499 8.8019762 -0.31502616 vesatolimod 8.5766497 8.861084 -0.28443426 vetiverol, acetate 9.1560802 9.2432823 -0.087202579 vibegron 8.6485004 8.8953791 -0.24687904 vicriviroc 9.3617401 9.4264183 -0.064678572 Victoria Blue R 7.6605101 7.663178 -0.0026677523 vidarabine 8.8931198 8.9739647 -0.080844432 vidupiprant 9.4266796 8.9496002 0.47707936 vigabatrin 9.6497202 9.7535706 -0.10385063 vilanterol 8.9445801 8.8999529 0.044626955 vilazodone 8.7419996 8.3359575 0.40604228 vildagliptin 9.5636196 9.2824993 0.28112063 viloxazine 9.33284 9.0121565 0.32068321 vinbarbital sodium 8.8063402 8.8284426 -0.022102794 vinclozolin 9.4910898 9.3240347 0.16705513 vinconate 8.2344904 8.3192558 -0.084765889 vinyl acetate 9.9489698 10.360834 -0.41186437 vinylbital 10.68837 10.19418 0.49419025 vinylene carbonate 10.21486 10.732787 -0.51792753 vinylene trithiocarbonate 9.1159096 8.6662245 0.44968545 vinyl oximinosilane 9.3009501 9.6316967 -0.33074692 violaxanthin 7.94416 8.2758465 -0.33168659 violet decenol 9.70259 10.334547 -0.63195705 viomycidine 9.1693802 8.8656988 0.30368108 vipadenant 8.6573801 8.4713306 0.18604946 viquidil 9.1454201 8.8939686 0.25145105 virodhamine 9.5456305 9.3460789 0.19955146 vismodegib 8.78298 9.15975 -0.37676969 vitamin K5 7.9956002 8.1113443 -0.11574432 vitamin L2 8.7667904 8.4504929 0.31629756 vitamin U 8.5832596 7.3800902 1.2031699 voacangine 8.1522398 8.4584951 -0.30625549 voglibose 10.01234 9.7193832 0.29295707 volasertib 8.1686602 8.1039886 0.064671539 vorapaxar 9.14433 9.3397703 -0.19544022 vorinostat 8.7605696 9.0256481 -0.2650784 vorozole 9.4068804 9.5127516 -0.10587155 vortioxetine 8.6128397 8.4201212 0.19271846 vosaroxin 9.2363005 8.7946863 0.44161344 voxelotor 9.2217197 9.1411924 0.080527827 voxtalisib 8.6100502 9.0820713 -0.47202155 VR nerve gas 9.1420298 9.665369 -0.52333874 VTX-2337 8.8021803 8.8401985 -0.038018253 VX 9.0874395 9.1238346 -0.036394633 warfarin 9.4029903 9.2030315 0.19995821 water 12.31666 10.993343 1.3233169 Water Blue 7.6883702 7.6871381 0.0012320251 wedelolactone 8.6742496 8.6076584 0.066591971 Willardine 9.6273804 9.8765106 -0.24913092 WIN 54461 8.7053003 8.6580219 0.047278415 WIN 54954 9.3021097 9.0462122 0.25589797 Wine lactone 9.8380203 9.8514948 -0.013474487 WL-108477 9.51933 9.3975639 0.12176605 WL 110 547 10.19083 9.9237185 0.26711202 WL-29226 9.3024101 9.468255 -0.16584533 wortmannin 10.10664 10.231771 -0.12513064 xanomeline 9.1308603 9.0256081 0.10525168 xanthene 8.7579699 8.5753756 0.18259417 xanthine 9.2749701 9.2109537 0.064016566 xanthone 9.2270203 9.3635864 -0.13656667 xanthopterin 8.8657598 9.0247269 -0.15896665 xanthurenic acid 8.8636904 8.931427 -0.067737296 xenbucin 9.0099697 9.2982101 -0.28824061 XLR-11 8.6326904 8.5438166 0.08887361 XMC 9.4377003 9.1170673 0.32063231 xylachlor 9.5433702 9.2975216 0.24584794 m-xylene 9.3019304 9.3867064 -0.084776081 o-xylene 9.28403 9.446228 -0.16219817 p-xylene 9.17904 9.3867064 -0.20766608 xylitol 10.8292 10.722363 0.10683634 xylitol pentanitrate 11.76983 11.806844 -0.037013285 xylometazoline 9.0379896 9.0373859 0.00060416327 1-xylylazo-2-napthol 8.4867697 8.4481421 0.038628247 xylylcarb 9.24823 9.1733952 0.074835189 3,5-xylyl methylcarbamate 9.4119902 9.1170673 0.29492232 Yellow AB 8.2769604 8.257452 0.019507639 Yellow OB 8.2617998 8.2354269 0.026373373 yishijing 9.6395397 9.6711617 -0.031621236 yuzunone 8.7670202 8.9813614 -0.21434133 zalcitabine 9.2297897 9.1933937 0.0363959 zaleplon 9.4389601 9.0474119 0.39154762 zaltoprofen 8.97474 9.0287094 -0.053969063 zanamivir 9.3344803 9.3745632 -0.040083077 zaragozic acid A 9.4644499 9.6335945 -0.1691443 zarilamide 9.76297 9.7438192 0.019150509 zarilamid oxime 9.7336798 9.7040958 0.02958448 zeatin 8.6613903 8.8287449 -0.16735533 zeaxanthin 7.7507401 7.6836843 0.06705562 Zeneca pyridine fungicide 8.8793001 9.2841043 -0.40480474 zibotentan 9.3594799 9.1709681 0.18851189 zileuton 8.7824202 8.9351749 -0.1527551 zimeldine 9.0535803 8.9360085 0.11757126 zinc 0 7.3482553E-11 -7.3482553E-11 zinc phosphate 11.31572 11.31572 7.4482642E-12 zingerone 9.0324202 9.1258307 -0.093411073 ziprasidone 8.6382904 8.764327 -0.12603711 ZM 336372 8.3656101 8.1695404 0.1960699 zolaprofos 9.6838903 9.3007288 0.38316128 zoledronic acid 9.4113102 9.3778563 0.033453863 zoliflodacin 9.18501 9.6335058 -0.44849625 zolimidine 9.1220903 9.1117468 0.010343676 zolmitriptan 8.6606998 8.6329756 0.027724579 zomepirac 9.1542597 8.954896 0.19936365 zometapine 8.8640804 8.8057632 0.058316652 zoxamide 9.7042103 9.5076141 0.1965954 ____________________________________________________________________ Molecular weight range used in building the models: 2.01588 - 1451200 All atom types were considered... No included variables in the analysis. Probability cut-off: 0.05 Transformation Index: 1 Property Index: 1 Parms:-14.74425 ; 124.7275 ; 2.01588 ; 1451200 ; 0 ; 0 Substituent Model: True ; Amalgamated CH3, OH, NH2, Halogen: True Analysis Complete at: 11:55:31 PM 5/22/2020 ;