0 B14R1.489 CSCC1=CC(=C(C=C1)Cl)NC(=O)C Z1224860874 [0,0,0,0,0,0|1,1,0]=2 1 B13R1.97 CC(C)NC1=C(C=CC(=C1)CO)Cl Z1343375270 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.97 COC1=CC(=C(C=C1)Br)CC(=O)O Z1259136095 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.97 COC1=CC(=C(C=C1)Cl)CC(=O)O Z1269186781 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.97 COC1=CC(=C(C=C1)F)CC(=O)O Z1255436471 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.97 COC1=CC(=C(C=C1)O)CC(C)N Z4167757598 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.373 CC(=O)NC1=CC(=CC=C1)N=C=S Z317098542 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.373 COCC1=CC(=CC=C1)CC(=O)O Z1262528442 [1,0,0,0,0,0|2,0,0]=3 8 B15R1.901 CC(=O)NC1=C(C=CC(=C1)CN(C)C)C Z1337346895 [0,1,0,0,0,0|2,0,0]=3 9 B15R1.991 CC(=O)NC1=C(C=CC(=C1)C(=O)CCl)O Z111875096 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.991 COC(=O)C1=CC(=C(C=C1)C)NC(=O)C Z29335817 [0,1,0,0,0,0|1,0,1]=3 11 B15R1.991 COC(=O)C1=CC(=C(C=C1)F)NC(=O)C Z247597532 [0,1,0,0,0,0|1,0,1]=3 12 B15R1.3888 CCOC1=C(C=C(C(=C1)NC(=O)C)Br)Br Z1838494134 [0,1,0,0,0,0|3,0,0]=4 13 B15R2.964 NC(=O)NC1=C(C=C2CCCC2=C1)Br Z1892793844 [0,0,0,1,0,0|3,0,0]=4 14 B15R2.1282 CCNC1=CC2=C(C=C1)OCC(=O)N2 Z286352296 [0,0,0,1,0,0|2,0,0]=3 15 B13R1.387 CCCC1=CC(=C(C=C1)N)C(=O)O Z362758718 [0,0,0,0,1,0|3,0,0]=4 16 B13R1.387 CCNC1=CC(=C(C=C1)F)C(=O)C Z2067348246 [0,0,0,0,1,0|3,0,0]=4 17 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Br)C Z448251216 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Br)Cl Z1037552282 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)Br Z56827897 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)Cl Z276567178 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)C Z27065719 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)Cl Z28136791 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.127 CC(=O)NC1=C(C=CC(=C1)Cl)N Z239121632 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.127 CC(=O)NC1=C(C=CC(=C1)F)C Z30904143 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.127 CC(=O)NC1=C(C=CC(=C1)I)Cl Z1408462342 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.127 CC(=O)NC1=C(C=CC(=C1)N)C Z239120816 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.127 CC(=O)NC1=C(C=CC(=C1)N)Cl Z431580096 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.127 CC(=O)NC1=C(C=CC(=C1)N)F Z235362233 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.127 CC(=O)NC1=C(C=CC(=C1)N)O Z1198342725 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.127 CC1=CC(=C(C=C1)C)NC(=O)N Z56754686 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.270 C=CCC1=C(C=CC(=C1)OC)O Z57046211 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.438 CC(=O)NC1=CC(=CC=C1)C#N Z26548069 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.438 CC(=O)NC1=CC(=CC=C1)C=O Z1238570824 [2,0,0,0,0,0|0,0,2]=4 34 B12R1.438 CC(=O)NC1=CC(=CC=C1)CN Z239097364 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO Z28913035 [2,0,0,0,0,0|0,0,0]=2 36 B12R1.438 CCC1=CC(=CC=C1)CC(=O)O Z1198264513 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.438 CCC1=CC(=CC=C1)NC(=N)N Z2518173555 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.438 CCC1=CC(=CC=C1)NC(=S)N Z271134332 [2,0,0,0,0,0|1,1,0]=4 39 B12R1.438 COC1=CC(=CC=C1)CC(=O)N Z33547068 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.438 COC1=CC(=CC=C1)CC(=O)O Z104478986 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.438 COC1=CC(=CC=C1)NC(=O)C Z27795266 [2,0,0,0,0,0|0,0,0]=2 42 B12R1.438 COC1=CC(=CC=C1)NC(=S)N Z56913186 [2,0,0,0,0,0|1,1,0]=4 43 B12R1.438 NCC1=CC(=CC=C1)NC(=O)N Z228589074 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.286 CCOC1=CC(=C(C=C1)O)C=O Z56347093 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.286 CNCC1=CC(=C(C=C1)O)OC Z425387552 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.286 N#CCC1=CC(=C(C=C1)O)C=O Z1511891392 [2,0,0,0,0,0|2,0,0]=4 47 B14R1.676 CC(=O)NC1=C(C=CC(=C1)C(=O)O)C Z85893057 [1,1,0,0,0,0|1,0,1]=4 48 B14R1.676 CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O Z57198697 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.881 COC1=C(C=C(C(=C1)NC(=O)N)Br)Br Z1836647615 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.3723 COC1=C(C=C(C=C1)CN)NC(=O)C Z969206984 [1,1,0,0,0,0|1,0,0]=3 51 B14R1.3723 COC1=CC(=C(C=C1)OC)CC(=O)O Z104495790 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.3724 C=CC(=O)NC1=C(C=CC(=C1)CC)O Z1938408152 [1,1,0,0,0,0|0,0,1]=3 53 B14R1.733 COC(=O)C1=CC(=CC=C1)NC(=O)C Z18978365 [1,1,0,0,0,0|0,0,1]=3 54 B14R1.733 COC(=O)C1=CC(=CC=C1)NC(=O)N Z28830588 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.733 COC(=O)C1=CC(=CN=C1)NC(=O)C Z1436187886 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.778 CC(=O)NC1=CC(=CC=C1)OCCN Z1263714099 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.748 COC(=O)C1=CC(=C(C=C1)O)C(=O)N Z1262631819 [0,1,0,0,1,0|1,0,1]=4 58 B14R1.748 COC(=O)C1=CC(=C(C=C1)O)C(=O)O Z1255401617 [0,1,0,0,1,0|1,0,1]=4 59 B14R1.6794 COCC1=CC(=C(N=C1)OC)C(=O)O Z3213826034 [0,1,0,0,1,0|2,0,0]=4 60 B16R1.4375 CCC(=O)NC1=C(C=CC(=C1)C(=O)OC)C Z29335863 [0,2,0,0,0,0|1,0,1]=4 61 B16R1.4375 CNC(=O)C1=CC(=C(C=C1)O)NC(=O)CCl Z3766265683 [0,2,0,0,0,0|1,0,1]=4 62 B16R1.4375 COC(=O)C1=CC(=C(C=C1)C)NC(=O)CCl Z56347374 [0,2,0,0,0,0|1,0,1]=4 63 B16R1.4375 COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCl Z57834461 [0,2,0,0,0,0|1,0,1]=4 64 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)C2 Z1255485170 [1,0,0,1,0,0|2,0,0]=4 65 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)N2 Z1255498178 [1,0,0,1,0,0|1,0,0]=3 66 B14R2.134 COC1=CC2=C(C=C1)OCC(=O)N2 Z1198176733 [1,0,0,1,0,0|0,0,0]=2 67 B14R2.134 O=CC1=CC2=C(C=C1)OCC(=O)N2 Z385369962 [1,0,0,1,0,0|0,0,2]=4 68 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)COC2 Z1262549592 [1,0,0,1,0,0|2,0,0]=4 69 B14R2.9440 CC(=O)NC1=CC=CC2=NON=C12 Z1509191464 [1,0,0,1,0,0|2,0,0]=4 70 B14R2.624 O=C(O)C1=C(C=C2CCCC2=C1)O Z1262516688 [0,0,0,1,1,0|2,0,0]=4 71 B16R2.11975 CC(=O)NC1=CC2=C(C=C1)OCC(=O)N2 Z29215535 [0,1,0,1,0,0|2,0,0]=4 72 B16R2.1205 COC(=O)C1=CC2=C(C=C1)OCC(=O)N2 Z57473907 [0,1,0,1,0,0|0,0,1]=3 73 B16R2.1205 COC(=O)C1=CC2=C(C=C1)SCC(=O)N2 Z16219595 [0,1,0,1,0,0|0,1,1]=4 74 B12R1.453 CCC1=CC(=C(C=C1)C)C(=O)O Z1262538890 [1,0,0,0,1,0|2,0,0]=4 75 B12R1.453 CCC1=CC(=C(C=C1)Cl)C(=O)O Z1201628894 [1,0,0,0,1,0|2,0,0]=4 76 B12R1.453 CCC1=CC(=C(C=C1)F)C(=O)O Z1255442013 [1,0,0,0,1,0|2,0,0]=4 77 B12R1.453 CCC1=CC(=C(C=C1)N)C(=O)O Z362758706 [1,0,0,0,1,0|2,0,0]=4 78 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)O Z367679272 [1,0,0,0,1,0|1,0,0]=3 79 B12R1.453 CCC1=CC(=C(C=C1)O)[N+](=O)[O-] Z979482328 [1,0,0,0,1,0|2,0,0]=4 80 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)N Z33545388 [1,0,0,0,1,0|2,0,0]=4 81 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)O Z104487486 [1,0,0,0,1,0|2,0,0]=4 82 B12R1.453 COC1=CC(=C(C=C1)Cl)C(=O)O Z1201620273 [1,0,0,0,1,0|2,0,0]=4 83 B12R1.453 COC1=CC(=C(C=C1)N)C(=O)O Z594219052 [1,0,0,0,1,0|2,0,0]=4 84 B12R1.453 COC1=CC(=C(C=C1)O)C(=O)C Z104483744 [1,0,0,0,1,0|0,0,0]=2 85 B12R1.453 COC1=CC(=C(C=C1)O)C(=O)N Z394696298 [1,0,0,0,1,0|1,0,0]=3 86 B12R1.453 COC1=CC(=C(C=C1)O)C(=O)O Z104495362 [1,0,0,0,1,0|1,0,0]=3 87 B12R1.453 COC1=CC(=C(C=C1)O)C(C)N Z239627178 [1,0,0,0,1,0|1,0,1]=4 88 B12R1.453 CSC1=CC(=C(C=C1)O)C(=O)O Z1255431342 [1,0,0,0,1,0|1,1,0]=4 89 B12R1.453 O=C(O)C1=C(C=CC(=C1)CO)Cl Z1262523857 [1,0,0,0,1,0|2,0,0]=4 90 B12R1.279 CCOC1=CC(=CC=C1)C(=O)C Z54179676 [1,0,0,0,1,0|2,0,0]=4 91 B12R1.279 CNCC1=CC(=CC=C1)C(=O)N Z752989064 [1,0,0,0,1,0|2,0,0]=4 92 B12R1.279 COCC1=CC(=CC=C1)C(=O)N Z101185906 [1,0,0,0,1,0|1,0,0]=3 93 B12R1.279 COCC1=CC(=CC=C1)C(=O)O Z90122375 [1,0,0,0,1,0|1,0,0]=3 94 B12R1.279 COCC1=CC(=CN=C1)C(=O)O Z1255438067 [1,0,0,0,1,0|2,0,0]=4 95 B12R1.279 COCC1=CC(=NC=C1)C(=O)O Z5027778944 [1,0,0,0,1,0|2,0,0]=4 96 B12R1.279 CSCC1=CC(=CC=C1)C(=O)O Z90122372 [1,0,0,0,1,0|1,1,0]=4 97 B14R1.468 COCC1=CC(=CC=C1)CNC(=O)C Z423111062 [1,0,0,0,0,1|0,0,0]=2