0 B16R1.30509 CCN(CC)C(=O)C1=NC(=C(C=C1)C#N)C Z363092254 [1,0,0,0,0,0|3,0,0]=4 1 B18R1.55073 CCN(CC)C(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-] Z28256125 [0,1,0,0,0,0|2,1,0]=4 2 B18R1.55192 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)OC Z45516228 [0,1,0,0,0,0|1,0,0]=2 3 B18R2.18858 COC1=C(C=C(C=C1)C(=O)N2CCCC2)OC Z31480540 [0,0,0,1,0,0|0,0,0]=1 4 B18R2.18858 COC1=C(C=C(C=C1)C(=O)N2CCCO2)OC Z1645961208 [0,0,0,1,0,0|1,0,0]=2 5 B18R1.73328 CCC(CC)NC(=O)C1=CC(=C(C=C1)OC)OC Z32434340 [0,0,0,0,0,1|1,0,0]=2 6 B15R1.3769 CCN(C)CC1=CC(=C(C=C1)OC)OC Z140667776 [2,0,0,0,0,0|0,0,1]=3 7 B15R1.815 CCOC(=O)C1=CC(=C(C=C1)OC)OC Z53836602 [2,0,0,0,0,0|1,0,0]=3 8 B15R1.1643 CCN(CC)C(=O)C1=CC(=CC=C1)C#N Z31723893 [2,0,0,0,0,0|2,0,0]=4 9 B15R1.1643 CCN(CC)C(=O)C1=NC(=CC=C1)OC Z1367184227 [2,0,0,0,0,0|1,0,0]=3 10 B15R1.4475 CCN(CC)C(=O)C1=CC(=C(C=C1)C)F Z135439740 [2,0,0,0,0,0|1,0,0]=3 11 B15R1.4475 CCN(CC)C(=O)C1=CC(=C(C=C1)O)Cl Z68161937 [2,0,0,0,0,0|1,0,0]=3 12 B15R1.218 CCN(CC)C(=O)C1=CC=C(C=C1)C=O Z1068001666 [2,0,0,0,0,0|2,0,0]=4 13 B15R1.218 CCN(CC)C(=O)C1=CC=C(C=C1)CN Z228584480 [2,0,0,0,0,0|2,0,0]=4 14 B15R1.218 CCN(CC)C(=O)C1=CC=C(C=C1)SC Z51851902 [2,0,0,0,0,0|0,1,0]=3 15 B17R1.6223 C#CCN(CC)CC1=CC(=C(C=C1)OC)OC Z162694642 [1,1,0,0,0,0|0,0,2]=4 16 B17R1.6223 C=CCN(CC)CC1=CC(=C(C=C1)OC)OC Z162692590 [1,1,0,0,0,0|0,0,2]=4 17 B17R1.6223 CCCN(CC)CC1=CC(=C(C=C1)OC)OC Z432769956 [1,1,0,0,0,0|0,0,1]=3 18 B17R1.14876 COC1=C(C(=CC(=C1)C(=O)N(C)OC)Cl)OC Z28073339 [1,1,0,0,0,0|1,0,0]=3 19 B17R1.164165 CCN(C)C(=O)C1=C(C=C(C(=C1)OC)OC)I Z997574824 [1,1,0,0,0,0|0,0,0]=2 20 B17R1.42141 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Br)OC Z199510802 [1,1,0,0,0,0|2,0,0]=4 21 B17R1.42141 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)OC Z57704774 [1,1,0,0,0,0|2,0,0]=4 22 B17R1.37713 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)C Z57839529 [1,1,0,0,0,0|1,0,0]=3 23 B17R1.37713 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N Z56845253 [1,1,0,0,0,0|2,0,0]=4 24 B19R1.78896 CCN(CC)C(=O)NC1=CC(=C(C=C1)OC)[N+](=O)[O-] Z1644057337 [0,1,0,0,0,1|2,0,0]=4 25 B19R1.460808 CCN(CC)C(=O)CC1=C(C=C(C(=C1)OC)OC)Br Z56784107 [0,1,0,0,0,1|0,0,0]=2 26 B19R1.460808 CCN(CC)C(=O)NC1=C(C=C(C(=C1)OC)OC)Br Z807327158 [0,1,0,0,0,1|0,0,0]=2 27 B19R1.2056323 CCN(CCO)C(=O)C1=CC(=C(C(=C1)Cl)OC)OC Z352623388 [0,2,0,0,0,0|0,0,0]=2 28 B19R1.4315 CCN(C(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-])C(C)C Z739767184 [0,2,0,0,0,0|2,0,0]=4 29 B17R2.2488 COC1=C(C=CC(=C1)C(=O)N2CCCC2)C Z116340704 [1,0,0,1,0,0|0,0,0]=2 30 B17R2.2488 COC1=C(C=CC(=C1)C(=O)N2CCCC2)Cl Z1526716777 [1,0,0,1,0,0|1,0,0]=3 31 B17R2.12182 CCN(CC)C(=O)C1=CC2=C(C=C1)CCC2 Z49510933 [1,0,0,1,0,0|1,0,0]=3 32 B17R2.2439 COC1=C(C=C(C=C1)C(=O)N2CCCC2)Br Z89293573 [1,0,0,1,0,0|1,0,0]=3 33 B17R2.2439 COC1=C(C=C(C=C1)C(=O)N2CCCC2)F Z87526939 [1,0,0,1,0,0|1,0,0]=3 34 B17R2.2439 COC1=C(C=C(C=C1)C(=O)N2CCCC2)N Z239124098 [1,0,0,1,0,0|1,0,0]=3 35 B19R2.28190 COC1=C(C=C(C=C1)NC(=O)C2CCCC2)OC Z30849421 [0,0,0,1,0,1|1,0,0]=3 36 B19R2.28190 COC1=C(C=C(C=C1)NC(=O)C2CCCO2)OC Z30848206 [0,0,0,1,0,1|2,0,0]=4 37 B19R2.449884 CCN1C(=O)NC2=C(C1=O)C=C(C(=C2)OC)OC Z57104466 [0,0,0,1,0,1|1,0,1]=4 38 B19R2.23283 CCC(CC)NC(=O)C1=CC2=C(C=C1)OCCO2 Z32434668 [0,0,0,1,0,1|1,0,0]=3 39 B19R2.179594 COC1=C(C=C(C=C1)S(=O)CC2CCCC2)OC Z1592712763 [0,0,0,1,0,1|2,0,0]=4 40 B19R2.308676 CCN(CC)C(=O)C1=CC2=C(OCCO2)C(=C1)Br Z970309008 [0,1,0,1,0,0|0,0,0]=2 41 B19R2.28215 COC1=C(C=C(C=C1)C(=O)C2CCNCC2)OC Z1945708167 [0,1,0,1,0,0|1,0,0]=3 42 B19R2.28215 COC1=C(C=C(C=C1)C(=O)N2CCCCC2)OC Z31424316 [0,1,0,1,0,0|0,0,0]=2 43 B19R2.28215 COC1=C(C=C(C=C1)C(=O)N2CCNCC2)OC Z235351537 [0,1,0,1,0,0|0,0,0]=2 44 B19R2.28215 COC1=C(C=C(C=C1)C(=O)N2CCOCC2)OC Z31721500 [0,1,0,1,0,0|0,0,0]=2 45 B19R2.28215 COC1=C(C=C(C=C1)C(=O)N2CCSCC2)OC Z437578930 [0,1,0,1,0,0|0,0,0]=2 46 B19R2.28199 CCC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)OC Z199510108 [0,1,0,1,0,0|2,0,0]=4 47 B19R2.28199 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)OC Z45509109 [0,1,0,1,0,0|1,0,0]=3 48 B19R2.208476 CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OCCO2 Z45516140 [0,1,0,1,0,0|1,0,0]=3 49 B19R2.308588 CCN(CC)C(=O)C1=CC2=C(C=C1)NC(=O)CO2 Z73231187 [0,1,0,1,0,0|1,0,1]=4 50 B19R2.308594 CCN(CC)C(=O)C1=CC2=C(C=C1)NC(=C2C)C Z31722446 [0,1,0,1,0,0|2,0,0]=4 51 B19R2.3699148 CCN(CC)C(=O)C1=CC2=C(C=C1)OCCCO2 Z79436065 [0,1,0,1,0,0|0,0,0]=2 52 B19R2.193972 COC1=C(C=C(C(=C1)N)C(=O)N2CCCC2)OC Z239124108 [0,1,0,1,0,0|0,0,0]=2 53 B19R3.18207 CCN1CCCC1C2=CC3=C(C=C2)OCCO3 Z162215072 [0,0,0,2,0,0|1,0,1]=4 54 B19R3.324030 O=C(C1=CC2=C(C=C1)CCCC2)N3CCCC3 Z90708813 [0,0,0,2,0,0|2,0,0]=4 55 B17R1.4638 CCC(C)C(=O)NC1=CC(=C(C=C1)OC)OC Z237826236 [1,0,0,0,0,1|1,0,0]=3 56 B17R1.4638 COC1=C(C=C(C=C1)CC(=O)N(C)OC)OC Z54739003 [1,0,0,0,0,1|1,0,0]=3 57 B17R1.4770 CCC(CC)NC(=O)C1=CC(=C(C=C1)OC)Br Z89315232 [1,0,0,0,0,1|2,0,0]=4 58 B17R1.37717 CCN(CC)C(=O)NC1=CC(=C(C=C1)OC)C Z746804198 [1,0,0,0,0,1|0,0,0]=2 59 B17R1.37717 CCN(CC)C(=O)NC1=CC(=C(C=C1)OC)F Z435721422 [1,0,0,0,0,1|1,0,0]=3 60 B14R1.793 CCNCC1=CC(=C(C=C1)OC)OC Z89283372 [3,0,0,0,0,0|0,0,1]=4 61 B14R1.1864 CCC(=O)C1=CC(=C(C=C1)OC)OC Z57952774 [3,0,0,0,0,0|0,0,0]=3 62 B14R1.1864 CNC(=O)C1=CC(=C(C=C1)OC)OC Z32016676 [3,0,0,0,0,0|0,0,0]=3 63 B14R1.1864 COC(=O)C1=CC(=C(C=C1)OC)OC Z18491817 [3,0,0,0,0,0|1,0,0]=4 64 B14R1.1864 COC1=C(C=C(C=C1)C(=O)CBr)OC Z56933742 [3,0,0,0,0,0|1,0,0]=4 65 B14R1.1864 COC1=C(C=C(C=C1)C(=O)CN)OC Z3225947271 [3,0,0,0,0,0|1,0,0]=4 66 B14R1.1864 COC1=C(C=C(C=C1)C(=O)NN)OC Z56876392 [3,0,0,0,0,0|1,0,0]=4 67 B14R1.7 CCN(C)C(=O)C1=CC=C(C=C1)SC Z344844812 [3,0,0,0,0,0|0,1,0]=4 68 B14R1.1003 CCN(C)C(=O)C1=CC(=C(C=C1)C)I Z1090320524 [3,0,0,0,0,0|1,0,0]=4 69 B14R1.1003 CCN(C)C(=O)C1=CC(=C(C=C1)I)C Z1118666276 [3,0,0,0,0,0|1,0,0]=4 70 B14R1.3652 COC1=C(C=C(C=C1)C(=O)N(C)C)N Z270758268 [3,0,0,0,0,0|1,0,0]=4 71 B14R1.41 COC1=C(C=CC(=C1)C(=O)N(C)C)C Z116443558 [3,0,0,0,0,0|0,0,0]=3 72 B14R1.41 COC1=C(C=CC(=C1)C(=O)N(C)C)N Z1357823976 [3,0,0,0,0,0|1,0,0]=4 73 B14R1.89 CCN(CC)C(=O)C1=CC(=CC=C1)C Z31723661 [3,0,0,0,0,0|0,0,0]=3 74 B14R1.89 CCN(CC)C(=O)C1=CC(=CC=C1)Cl Z31723215 [3,0,0,0,0,0|1,0,0]=4 75 B14R1.89 CCN(CC)C(=O)C1=CC(=CC=C1)N Z56989635 [3,0,0,0,0,0|1,0,0]=4 76 B14R1.89 CCN(CC)C(=O)C1=CC(=CC=C1)O Z31723196 [3,0,0,0,0,0|0,0,0]=3 77 B14R1.89 CCN(CC)C(=O)C1=NC(=CC=C1)C Z286034476 [3,0,0,0,0,0|1,0,0]=4 78 B14R1.88 CCN(CC)C(=O)C1=CC=C(C=C1)C Z31723349 [3,0,0,0,0,0|0,0,0]=3 79 B14R1.88 CCN(CC)C(=O)C1=CC=C(C=C1)F Z31723195 [3,0,0,0,0,0|1,0,0]=4 80 B14R1.88 CCN(CC)C(=O)C1=CC=C(C=C1)N Z55993012 [3,0,0,0,0,0|1,0,0]=4 81 B14R1.88 CCN(CC)C(=O)C1=CC=C(C=C1)O Z68161094 [3,0,0,0,0,0|0,0,0]=3 82 B14R1.88 CCN(CC)C(=O)C1=CN=C(C=C1)C Z237778040 [3,0,0,0,0,0|1,0,0]=4 83 B16R1.1559 CCCN(C)CC1=CC(=C(C=C1)OC)OC Z432806494 [2,1,0,0,0,0|0,0,1]=4 84 B16R1.7129 CCOC1=C(C=C(C=C1)CN(C)CC)OC Z139477206 [2,1,0,0,0,0|0,0,1]=4 85 B16R1.1504 C#CCNC(=O)C1=CC(=C(C=C1)OC)OC Z52404484 [2,1,0,0,0,0|0,0,1]=4 86 B16R1.1504 C=CCNC(=O)C1=CC(=C(C=C1)OC)OC Z32064868 [2,1,0,0,0,0|0,0,1]=4 87 B16R1.1504 CCONC(=O)C1=CC(=C(C=C1)OC)OC Z247485904 [2,1,0,0,0,0|0,0,0]=3 88 B16R1.4273 COC1=C(C=C(C=C1)C(=O)NC(C)C)OC Z31386164 [2,1,0,0,0,0|0,0,0]=3 89 B16R1.7130 CCOC1=C(C=C(C=C1)C(=O)NOC)OC Z247486390 [2,1,0,0,0,0|1,0,0]=4 90 B16R1.64536 CCNC(=O)C1=CC(=C(C(=C1)Cl)OC)OC Z30279873 [2,1,0,0,0,0|0,0,0]=3 91 B16R1.70643 CCNC(=O)C1=C(C=C(C(=C1)OC)OC)I Z993038510 [2,1,0,0,0,0|0,0,0]=3 92 B16R1.70643 CONC(=O)C1=C(C=C(C(=C1)OC)OC)I Z993051720 [2,1,0,0,0,0|1,0,0]=4 93 B16R1.20100 COC1=C(C=C(C(=C1)F)C(=O)N(C)C)OC Z1416492272 [2,1,0,0,0,0|0,0,0]=3 94 B16R1.20100 COC1=C(C=C(C(=C1)I)C(=O)N(C)C)OC Z993112674 [2,1,0,0,0,0|0,0,0]=3 95 B16R1.20100 COC1=C(C=C(C(=C1)N)C(=O)N(C)C)OC Z270758282 [2,1,0,0,0,0|0,0,0]=3 96 B16R1.25085 COC1=C(C=C(C=C1)S(=O)(=O)N(C)C)OC Z45527641 [2,1,0,0,0,0|1,0,0]=4 97 B16R1.5481 CCN(CC)C(=O)C1=CC(=CC=C1)N(C)C Z31723407 [2,1,0,0,0,0|1,0,0]=4 98 B16R1.13223 CCN(CC)C(=O)C1=CC(=CC=C1)CSC Z135439552 [2,1,0,0,0,0|0,1,0]=4 99 B16R1.3202 CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C Z45516157 [2,1,0,0,0,0|1,0,0]=4 100 B18R1.289959 CCC(C)C(=O)NC1=C(C=C(C(=C1)OC)OC)C Z237955686 [1,1,0,0,0,1|1,0,0]=4 101 B18R1.289959 CCC(C)C(=O)NC1=C(C=C(C(=C1)OC)OC)Cl Z238202182 [1,1,0,0,0,1|1,0,0]=4 102 B18R1.18288 CCC(C)NC(=O)C1=CC(=C(C(=C1)Cl)OC)OC Z27709527 [1,1,0,0,0,1|1,0,0]=4 103 B18R1.190046 CCOC1=C(C=C(C=C1)C(=O)NC(C)CC)OC Z31441463 [1,1,0,0,0,1|1,0,0]=4 104 B18R1.23119 CCN(CCOC)CC1=CC(=C(C=C1)OC)OC Z241634812 [1,2,0,0,0,0|0,0,1]=4 105 B18R1.44527 COC1=C(C=C(C=C1)CN(CCO)C(C)C)OC Z905435154 [1,2,0,0,0,0|0,0,1]=4 106 B18R1.99448 CCCN(CC)CC1=CC(=C(C=C1)OCC)OC Z432746440 [1,2,0,0,0,0|0,0,1]=4 107 B18R1.381165 COC1=C(C=C(C(=C1)I)C(=O)N(C)CC#N)OC Z1000008130 [1,2,0,0,0,0|0,0,1]=4 108 B18R1.5528 CCN(C)C(=O)C1=CC(=C(C=C1)OC(F)F)OC Z344840208 [1,2,0,0,0,0|0,0,0]=3 109 B18R1.18276 COC1=CC(=CC(=C1OC)OC)C(=O)N(C)OC Z28074734 [1,2,0,0,0,0|1,0,0]=4 110 B18R1.289915 CCN(CC)S(=O)(=O)C1=C(C=C(C(=C1)OC)C)C Z199510522 [1,2,0,0,0,0|1,0,0]=4 111 B18R1.688169 CCN(CC#N)C(=O)C1=CC(=C(C(=C1)C)OC)C Z1583497087 [1,2,0,0,0,0|0,0,1]=4 112 B18R1.688169 CCN(CCO)C(=O)C1=CC(=C(C(=C1)Cl)OC)Cl Z352618442 [1,2,0,0,0,0|1,0,0]=4 113 B20R1.15228 CCC(CCO)NC(=O)NC1=CC(=C(C=C1)OC)OC Z1254229015 [0,1,0,0,0,2|1,0,0]=4 114 B20R1.759686 CCC(CC)NC(=O)NC1=C(C=C(C(=C1)OC)OC)C Z410618538 [0,1,0,0,0,2|1,0,0]=4 115 B20R1.727815 CCN(C(=O)NCC1=CC(=C(C=C1)OC)OC)C(C)C Z992050220 [0,1,0,0,0,2|0,0,0]=3 116 B20R1.2108734 CCN(CC)S(=O)(=O)NCC1=CC(=C(C=C1)OC)OC Z223826436 [0,1,0,0,0,2|1,0,0]=4 117 B20R1.3845947 CCOC1=C(C=C(C=C1Br)C(=O)N(CC)CCO)OC Z68289118 [0,3,0,0,0,0|0,0,0]=3 118 B20R1.1017193 CCOC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)OCC Z90682464 [0,3,0,0,0,0|1,0,0]=4 119 B16R2.1935 COC1=C(C=C2C(=O)CCCC2=C1)OC Z1008430886 [2,0,0,1,0,0|1,0,0]=4 120 B16R2.1935 COC1=C(C=C2C(=O)NCCC2=C1)OC Z94602405 [2,0,0,1,0,0|0,0,0]=3 121 B16R2.50639 COC1=C(C=C(C=C1)C(=O)N2CCC2)Br Z117072922 [2,0,0,1,0,0|1,0,0]=4 122 B16R2.54878 COC1=C(C=CC(=C1)C(=O)N2CCC2)C Z117073182 [2,0,0,1,0,0|0,0,0]=3 123 B16R2.1956 COC1=CC(=CC=C1)C(=O)N2CCCC2 Z31480413 [2,0,0,1,0,0|0,0,0]=3 124 B16R2.138 CC1=C(C=CC(=C1)C(=O)N2CCCC2)F Z1098331655 [2,0,0,1,0,0|1,0,0]=4 125 B16R2.138 CC1=C(C=CC(=C1)C(=O)N2CCCC2)N Z239124094 [2,0,0,1,0,0|1,0,0]=4 126 B16R2.138 O=C(C1=CC(=C(C=C1)O)Cl)N2CCCC2 Z68130208 [2,0,0,1,0,0|1,0,0]=4 127 B16R2.46 COC1=NC=C(C=C1)C(=O)N2CCCC2 Z184688974 [2,0,0,1,0,0|1,0,0]=4 128 B16R2.46 CSC1=CC=C(C=C1)C(=O)N2CCCC2 Z51818320 [2,0,0,1,0,0|0,1,0]=4 129 B18R2.30019 CCC(C)C(=O)NC1=CC2=C(C=C1)OCCO2 Z237740510 [1,0,0,1,0,1|1,0,0]=4 130 B18R2.181990 COC1=C(C=C(C=C1)NC(=O)C2CC2C)OC Z30849483 [1,0,0,1,0,1|1,0,0]=4 131 B18R2.2564228 COC1=C(C=C(C=C1)NC(=O)C2CCC2)OC Z30849420 [1,0,0,1,0,1|1,0,0]=4 132 B18R2.16072 CCC(CC)NC(=O)C1=CC2=C(C=C1)OCO2 Z32434218 [1,0,0,1,0,1|1,0,0]=4 133 B18R2.2569 COC1=C(C=C(C=C1)NC(=O)N2CCCC2)Cl Z339585662 [1,0,0,1,0,1|1,0,0]=4 134 B18R2.2557 COC1=C(C=C(C=C1)CN2CCNCC2)OC Z85921974 [1,1,0,1,0,0|0,0,1]=4 135 B18R2.2557 COC1=C(C=C(C=C1)CN2CCOCC2)OC Z1461072013 [1,1,0,1,0,0|0,0,1]=4 136 B18R2.1452564 CCCN1CCC2=C(C1)C=C(C(=C2)OC)OC Z276355306 [1,1,0,1,0,0|0,0,1]=4 137 B18R2.906108 CON(C)C(=O)C1=CC2=C(C=C1)OCCCO2 Z66337170 [1,1,0,1,0,0|1,0,0]=4 138 B18R2.126200 CON(C)C(=O)C1=CC2=C(OCCO2)C(=C1)Br Z971321314 [1,1,0,1,0,0|1,0,0]=4 139 B18R2.119647 COC1=C(C=C(C(=C1)I)C(=O)N2CCC2)OC Z993044134 [1,1,0,1,0,0|0,0,0]=3 140 B18R2.2665 COC1=C(C=CC(=C1)C(=O)N2CCCCC2)C Z116298536 [1,1,0,1,0,0|0,0,0]=3 141 B18R2.2665 COC1=C(C=CC(=C1)C(=O)N2CCNCC2)C Z451452306 [1,1,0,1,0,0|0,0,0]=3 142 B18R2.2665 COC1=C(C=CC(=C1)C(=O)N2CCOCC2)C Z116362880 [1,1,0,1,0,0|0,0,0]=3 143 B18R2.2666 COC1=C(C=CC(=C1)C(=O)N2CC[C@H](C2)O)C Z1270588261 [1,1,0,1,0,0|0,0,0]=3 144 B18R2.2602 CNC1=C(C=C(C=C1)C(=O)N2CCOCC2)C Z1098326229 [1,1,0,1,0,0|1,0,0]=4 145 B18R2.2602 COC1=C(C=C(C=C1)C(=O)N2CCCCC2)Br Z100460288 [1,1,0,1,0,0|1,0,0]=4 146 B18R2.2602 COC1=C(C=C(C=C1)C(=O)N2CCNCC2)F Z927285942 [1,1,0,1,0,0|1,0,0]=4 147 B18R2.2602 COC1=C(C=C(C=C1)C(=O)N2CCOCC2)F Z87529436 [1,1,0,1,0,0|1,0,0]=4 148 B18R2.2602 COC1=C(C=C(C=C1)C(=O)N2CCOCC2)N Z239124302 [1,1,0,1,0,0|1,0,0]=4 149 B18R2.2586 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C Z57793116 [1,1,0,1,0,0|1,0,0]=4 150 B18R2.106075 COC1=C(C(=CC=C1)C(=O)N2CCCC2)OC Z31480436 [0,0,0,1,1,1|0,0,0]=3 151 B18R2.3187 COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC Z31480437 [0,0,0,1,1,1|0,0,0]=3 152 B18R2.6653 COC1=CC(=CC(=C1)C(=O)N2CCCC2)OC Z31480438 [0,0,0,1,1,1|0,0,0]=3 153 B18R3.182013 O=C(C1=CC2=C(C=C1)CCC2)N3CCCC3 Z49509283 [1,0,0,2,0,0|1,0,0]=4 154 B18R3.182013 O=C(C1=CC2=C(C=C1)OCO2)N3CCCC3 Z31480418 [1,0,0,2,0,0|0,0,0]=3 155 B20R2.26121 COC1=C(C=C(C=C1)NC(=O)CC2CCCC2)OC Z30849429 [0,0,0,1,0,2|1,0,0]=4 156 B20R2.40674 CCN(CC)C(=O)CSC1=CC2=C(C=C1)OCCO2 Z25044144 [0,0,0,1,0,2|0,0,0]=3 157 B20R2.40674 CCN(CC)C(=S)SCC1=CC2=C(C=C1)OCCO2 Z850554368 [0,0,0,1,0,2|0,1,0]=4 158 B20R2.284502 COC1=C(C=C(C=C1)/C=C/C(=O)N2CCCC2)OC Z27753754 [0,0,0,1,0,2|0,0,0]=3 159 B20R2.284502 COC1=C(C=C(C=C1)CNC(=O)C2CCCC2)OC Z26441222 [0,0,0,1,0,2|1,0,0]=4 160 B20R2.26129 COC1=C(C=C(C=C1)C(=O)NN=C2CCCC2)OC Z49723630 [0,0,0,1,0,2|1,0,0]=4 161 B20R2.194310 CCC(CC)CNC(=O)C1=CC2=C(C=C1)OCCO2 Z1129632768 [0,0,0,1,0,2|1,0,0]=4 162 B20R2.41139 COC1=C(C=C(C=C1)CC(=O)N2CCSCC2)OC Z437589654 [0,1,0,1,0,1|0,0,0]=3 163 B20R2.41139 COC1=C(C=C(C=C1)CC(=S)N2CCOCC2)OC Z276142376 [0,1,0,1,0,1|0,1,0]=4 164 B20R2.41139 COC1=C(C=C(C=C1)NC(=O)C2CCCCC2)OC Z30849374 [0,1,0,1,0,1|1,0,0]=4 165 B20R2.41139 COC1=C(C=C(C=C1)NC(=O)C2CCOCC2)OC Z73243715 [0,1,0,1,0,1|1,0,0]=4 166 B20R2.10969 CCOC1=C(C=CC(=C1)NC(=O)N2CCCC2)OC Z595579922 [0,1,0,1,0,1|0,0,0]=3 167 B20R2.306895 COC1=C(C=C(C(=C1)C)NC(=O)C2CCCC2)OC Z29660043 [0,1,0,1,0,1|1,0,0]=4 168 B20R2.940457 CCN(CC)C(=O)NC1=C(C=C2OCCOC2=C1)Br Z1134182348 [0,1,0,1,0,1|0,0,0]=3 169 B20R2.5752888 COC1=C(C=C(C=C1)NC(=O)C2(CCCC2)N)OC Z594237460 [0,1,0,1,0,1|1,0,0]=4 170 B20R2.9091 COC1=C(C(=CC(=C1)C(=O)NC2CCCC2)Cl)OC Z30918493 [0,1,0,1,0,1|1,0,0]=4 171 B20R2.41170 COC1=C(C=C(C=C1)/C(=N/N2CCOCC2)/C)OC Z54322439 [0,1,0,1,0,1|1,0,0]=4 172 B20R2.41170 COC1=C(C=C(C=C1)C(=O)NC2CCCCC2)OC Z31484556 [0,1,0,1,0,1|1,0,0]=4 173 B20R2.849972 CCN(CC#N)C(=O)C1=CC2=C(OCCO2)C(=C1)Br Z971635874 [0,2,0,1,0,0|0,0,1]=4 174 B20R2.2387124 COC1=C(C=C(C=C1)C(=O)N2CCCS2(=O)=O)OC Z762199604 [0,2,0,1,0,0|1,0,0]=4 175 B20R2.2387126 COC1=C(C=C(C=C1)C(=O)N2CCOCC2C)OC Z364579412 [0,2,0,1,0,0|0,0,0]=3 176 B20R2.7506445 COC1=C(C=C(C=C1)C(=O)N(CC#N)C2CC2)OC Z826825056 [0,2,0,1,0,0|0,0,1]=4 177 B20R2.41152 COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)OC Z45498148 [0,2,0,1,0,0|1,0,0]=4 178 B20R2.41152 COC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)OC Z85918820 [0,2,0,1,0,0|1,0,0]=4 179 B20R2.41152 COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)OC Z45515889 [0,2,0,1,0,0|1,0,0]=4 180 B20R2.191973 CCN(CCO)S(=O)(=O)C1=CC2=C(C=C1)OCCO2 Z635168122 [0,2,0,1,0,0|1,0,0]=4 181 B20R2.257126 CCCCN(CC)C(=O)C1=CC2=C(C=C1)OCCO2 Z32970804 [0,2,0,1,0,0|0,0,0]=3 182 B20R2.257126 CCN(CCSC)C(=O)C1=NC=C2OCCOC2=C1 Z2454650464 [0,2,0,1,0,0|1,0,0]=4 183 B20R2.284517 COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C)OC Z32665260 [0,2,0,1,0,0|0,0,0]=3 184 B20R2.284517 COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)N)OC Z1224459572 [0,2,0,1,0,0|0,0,0]=3 185 B20R2.41169 COC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C)OC Z31715476 [0,2,0,1,0,0|0,0,0]=3 186 B20R2.41169 COC1=C(C=C(C=C1)C(=O)N2CCNC(=O)C2)OC Z31603028 [0,2,0,1,0,0|0,0,1]=4 187 B20R2.11402872 CCN(CC#N)C(=O)C1=CC2=C(C=C1)OCCCO2 Z908247674 [0,2,0,1,0,0|0,0,1]=4 188 B20R2.19478 COC1=C(C=C(C(=C1)N)C(=O)N2CCCCC2)OC Z239125468 [0,2,0,1,0,0|0,0,0]=3 189 B20R2.307311 COC1=C(C=C(C(=C1)C)C(=O)N2CCC(C2)N)OC Z1456612183 [0,2,0,1,0,0|0,0,0]=3 190 B20R2.307311 COC1=C(C=C(C(=C1)C)C(=O)N2CC[C@@H](C2)N)OC Z1460632395 [0,2,0,1,0,0|0,0,0]=3 191 B20R2.307311 COC1=C(C=C(C(=C1)C)C(=O)N2CC[C@H](C2)N)OC Z2242903778 [0,2,0,1,0,0|0,0,0]=3 192 B20R2.307311 COC1=C(C=C(C(=C1)F)C(=O)N2CC[C@H](C2)N)OC Z1455821097 [0,2,0,1,0,0|0,0,0]=3 193 B20R2.307154 COC1=C(C=C(C(=C1)C)S(=O)(=O)N2CCCC2)OC Z355127378 [0,2,0,1,0,0|1,0,0]=4 194 B20R2.307154 COC1=C(C=C(C(=C1)F)S(=O)(=O)N2CCCC2)OC Z355127380 [0,2,0,1,0,0|1,0,0]=4 195 B20R2.41148 COC1=C(C=C(C=C1)C(=O)N2CCCC2)NC(=O)C Z913725556 [0,2,0,1,0,0|1,0,0]=4 196 B20R2.41148 COC1=C(C=C(C=C1)C(=O)N2CCCC2)NC(C)C Z1395316853 [0,2,0,1,0,0|1,0,0]=4 197 B20R3.16123 O=C(CC1=CC2=C(C=C1)OCCO2)N3CCCC3 Z31480951 [0,0,0,2,0,1|0,0,0]=3 198 B20R3.281928 O=C(C1=CC(=C2OCCOC2=C1)Br)N3CCCC3 Z971196106 [0,1,0,2,0,0|0,0,0]=3 199 B20R3.281928 O=C(C1=CC(=C2OCCOC2=C1)Cl)N3CCCC3 Z62660415 [0,1,0,2,0,0|0,0,0]=3 200 B20R3.34875 O=C(C1=CC2=C(C=C1)OCCO2)C3CCNCC3 Z221421642 [0,1,0,2,0,0|1,0,0]=4 201 B20R3.34875 O=C(C1=CC2=C(C=C1)OCCO2)N3CCSCC3 Z437581028 [0,1,0,2,0,0|0,0,0]=3 202 B20R3.1861981 CC1(COC2=C1C=C(C=C2)C(=O)N3CCCC3)C Z2168772120 [0,1,0,2,0,0|1,0,0]=4 203 B20R3.2846965 O=S(=O)(C1=CC2=C(C=C1)OCCO2)N3CCCC3 Z45509021 [0,1,0,2,0,0|1,0,0]=4 204 B20R3.552088 O=C(C1=CC2=C(C=C1)OCCCO2)N3CCCC3 Z62660355 [0,1,0,2,0,0|0,0,0]=3 205 B16R1.4727 CCC(C)NC(=O)C1=CC(=C(C=C1)C)OC Z135369260 [2,0,0,0,0,1|1,0,0]=4 206 B16R1.237 CCN(CC)C(=O)NC1=CC=C(C=C1)OC Z104654026 [2,0,0,0,0,1|0,0,0]=3 207 B16R1.237 CCN(CC)C(=O)NC1=CN=C(C=C1)OC Z433969316 [2,0,0,0,0,1|1,0,0]=4 208 B16R1.20199 COC1=CC(=C(C=C1)C(=O)N(C)OC)OC Z54740812 [1,0,0,0,1,1|1,0,0]=4 209 B18R1.73249 COC1=C(C=C(C=C1)CCC(=O)N(C)OC)OC Z28073681 [1,0,0,0,0,2|1,0,0]=4 210 B18R1.73327 CCC(C)CNC(=O)C1=CC(=C(C=C1)OC)OC Z56773068 [1,0,0,0,0,2|1,0,0]=4 211 B18R1.55257 CCN(CC)C(=O)/C=C/C1=CC(=C(C=C1)OC)F Z95515454 [1,0,0,0,0,2|1,0,0]=4 212 B18R1.55257 CCN(CC)C(=O)NCC1=CC(=C(C=C1)OC)Br Z1019109498 [1,0,0,0,0,2|1,0,0]=4 213 B20R1.105017 CCC(CC)C(=O)NCCC1=CC(=C(C=C1)OC)OC Z26704731 [0,0,0,0,0,3|1,0,0]=4 214 B20R1.105020 CCN(CC)CCNC(=O)C1=CC(=C(C=C1)OC)OC Z31448412 [0,0,0,0,0,3|0,0,0]=3