0 B14R2.8235 CC1CC(O)C2C=C(Cl)C=CC2S1 DY500781 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.162 CC1=CC=C2OCCC(=O)C2=C1 DY459852 [1,0,0,0,0,0|1,0,2]=4 2 B13R2.162 CC1=CC=C2OCCC(N)C2=C1 DY535827 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.162 CC1=CC=C2OCC[C@H](N)C2=C1 DY669278 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.162 NC1CCCC2=CC=C(Br)C=C21 NO18492 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.162 NC1CCCC2=CC=C(Cl)C=C21 DY744499 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.162 NC1CCOC2=CC=C(F)C=C21 NO18833 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.162 NC1CCOC2=CC=C(I)C=C21 DY770955 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.162 N[C@H]1CCOC2=CC=C(F)C=C21 NO15090 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.162 O=C1CCNC2=CC=C(Br)C=C12 NO12319 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.162 OC1CCCC2=C1C=C(Cl)C=N2 DY674835 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.162 OC1CCOC2=CC=C(I)C=C21 DY679707 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 DY765155 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2N1 NO14148 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 NO22115 [1,0,0,0,0,0|2,0,1]=4 15 B15R2.59733 CC1=C(C)C=C2C(=O)CC(C)OC2=C1 DY771213 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.51 CC(C)OC1=C(CO)C=C(F)C=C1 DY448324 [0,0,1,0,0,0|2,0,0]=3 17 B13R1.141 CCNC1=C(C(=O)O)C=C(C)C=C1 DY604309 [0,0,1,0,0,0|1,0,1]=3 18 B13R1.446 CCCC(=O)C1=C(O)C=CC(C)=C1 DY788817 [0,0,1,0,0,0|1,0,2]=4 19 B13R1.446 CCOC(=O)C1=C(N)C=CC(C)=C1 NO11330 [0,0,1,0,0,0|1,0,2]=4 20 B12R1.1 CC1=CC=C(CNCCO)C=C1 DY610490 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.32 CN(CCO)CC1=CC=CC=C1 NO11755 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.49 CCC(C)NC1=NC=C(Br)C=C1 DY659726 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.75 CC(C)OC1=NC=CC=C1CO DY450310 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.46 COC1=C(C(C)O)C=C(F)C=C1 DY576903 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.46 COC1=C([C@H](C)O)C=C(F)C=C1 DY527649 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 DY605092 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.17 CC1=CC=CC(C(N)CCO)=C1 DY788349 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.17 CNCC(O)C1=CC=CC(O)=C1 DY526923 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.17 CNC[C@H](O)c1cccc(O)c1 DY562101 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.107 CC(Br)CC(C)C1=CC=CC=C1 DY747547 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 DY822243 [1,0,1,0,0,0|2,0,0]=4 32 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 NO10787 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 NO15185 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.24 BrC1=CC=C2CCCCC2=C1 NO16753 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.24 BrC1=CC=C2NCCCC2=C1 NO19737 [2,0,0,0,0,0|1,0,0]=3 36 B12R2.24 BrC1=CC=C2OCCCC2=C1 NO19916 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.24 CC1=CC=C2CCCCC2=C1 NO10746 [2,0,0,0,0,0|1,0,0]=3 38 B12R2.24 CC1=CC=C2CCNCC2=C1 DY553959 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.24 CC1=CC=C2CCNCC2=C1 NO18155 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.24 CC1=CC=C2CNCCC2=C1 DY431469 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 CC1CNC2=CC=CC=C2C1 DY33343 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.24 CN1CCC2=CC=CC=C2C1 NO16157 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.24 ClC1=CC=C2NCCCC2=C1 NO14585 [2,0,0,0,0,0|1,0,0]=3 44 B12R2.24 ClC1=CC=C2NCCNC2=C1 DY744199 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.24 FC1=CC=C2OCCCC2=C1 DY584315 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.24 NC1=CC2=C(C=C1)CCCC2 DY541887 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.24 NC1CCC2=CC=CC=C2C1 NO18799 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 N[C@@H]1CCC2=CC=CC=C2C1 DY765191 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 O=C1CCC2=CC=CC=C2N1 NO11038 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.24 OC1=CC2=C(C=C1)CCCC2 NO13514 [2,0,0,0,0,0|2,0,0]=4 51 B12R2.24 OC1=CC2=C(C=C1)NCCO2 DY442455 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 OC1CCC2=CC=CC=C2O1 DY681876 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.1081 CC1CCNC2=CC=CC=C21 NO17518 [2,0,0,0,0,0|1,0,0]=3 54 B12R2.1081 CN1CCNC2=CC=CC=C21 DY783466 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.1081 CN1CCNC2=CC=CC=C21 NO19012 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.1081 IC1CCCC2=CC=CC=C21 DY528825 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.1081 NC1CCOC2=CC=CC=C21 NO18355 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 NO13980 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.1081 O=C1CCNC2=CC=CC=C12 NO15321 [2,0,0,0,0,0|0,0,2]=4 60 B12R2.1081 OC1CCNC2=CC=CC=C21 DY543693 [2,0,0,0,0,0|0,0,0]=2 61 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 DY555243 [2,0,0,0,0,0|2,0,0]=4 62 B14R2.142 COC1=CC=C2CCC[C@@H](N)C2=C1 DY765173 [1,1,0,0,0,0|2,0,0]=4 63 B14R2.142 COC1=CC=C2OCCC(N)C2=C1 DY686953 [1,1,0,0,0,0|2,0,0]=4 64 B14R2.4536 CC1(C)CCNC2=CC=C(Br)C=C21 DY509864 [1,1,0,0,0,0|2,0,0]=4 65 B14R2.4536 CC1(C)CCNC2=CC=C(Br)C=C21 NO12390 [1,1,0,0,0,0|2,0,0]=4 66 B14R2.8189 CC1CC2=CC=CC=C2C(C)(C)C1 DY763871 [1,1,0,0,0,0|2,0,0]=4 67 B14R2.29496 CC1(C)CC(N)C2=CC=CC=C2O1 DY602680 [1,1,0,0,0,0|2,0,0]=4 68 B14R2.2332 CCC1CCC2=C(C=CC(O)=C2)C1 DY765659 [1,1,0,0,0,0|2,0,0]=4 69 B14R2.29369 CC1COC2=C(C=CC(F)=C2F)N1 DY680084 [1,1,0,0,0,0|2,0,0]=4 70 B14R2.25731 CN1CC(O)C2=CC(=O)C(=O)C=C21 DY559299 [0,1,0,0,1,0|2,0,0]=4 71 B16R2.382625 CC1(C)CC(O)C2=CC(O)=C(O)C=C2O1 DY771057 [0,2,0,0,0,0|2,0,0]=4 72 B14R2.72 BrC1=CC=C(O[C@H]2CCOC2)C=C1 DY745165 [0,0,1,1,0,0|2,0,0]=4 73 B14R2.300 CC(C)N1CCC2=CC(N)=CC=C21 DY629357 [0,0,1,1,0,0|2,0,0]=4 74 B14R2.5637 CC1=CC2=C(C=C1)NCCCC2N NO16160 [0,0,1,1,0,0|1,0,0]=3 75 B14R2.30096 CC1=CC(C(O)C2CC2)=C(C)C=C1 DY757693 [0,0,1,1,0,0|1,0,0]=3 76 B12R1.16 CCCC(C)C1=CC=C(O)C=C1 DY822171 [0,0,1,0,1,0|2,0,0]=4 77 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 NO14753 [0,0,1,0,1,0|2,0,0]=4 78 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 NO19558 [0,0,1,0,1,0|2,0,0]=4 79 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 DY625183 [0,0,1,0,1,0|2,0,0]=4 80 B12R2.132 NC1CCC2=CC=C(Br)C=C21 DY579057 [1,0,0,0,1,0|2,0,0]=4 81 B12R2.132 NC1CCC2=CC=C(F)C=C21 DY530697 [1,0,0,0,1,0|2,0,0]=4 82 B12R2.132 N[C@@H]1CCC2=CC=C(O)C=C21 DY104168 [1,0,0,0,1,0|2,0,0]=4 83 B12R2.132 OC1CCC2=CC=C(F)C=C21 DY447461 [1,0,0,0,1,0|1,0,0]=3 84 B12R2.202 CC1=CC2=C(CCCC2O)N1 DY673075 [1,0,0,0,1,0|2,0,0]=4 85 B12R2.2028 CC1NC(C)C2=CC=CC=C21 DY541491 [1,0,0,0,1,0|2,0,0]=4 86 B12R2.2028 CC1OB(O)C2=C1C=CC=C2 DY450496 [1,0,0,0,1,0|2,0,0]=4 87 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 NO15472 [1,0,0,0,1,0|1,0,1]=4 88 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 NO10011 [1,0,0,0,1,0|0,0,2]=4 89 B12R2.612 CN1CCC2=CC(F)=CC=C21 DY630394 [1,0,0,0,1,0|2,0,0]=4 90 B12R2.612 CN1CCC2=CC(N)=CC=C21 DY629369 [1,0,0,0,1,0|2,0,0]=4 91 B12R2.612 Cc1coc2c1CCC(C)C2 DY822612 [1,0,0,0,1,0|2,0,0]=4 92 B12R2.612 ClC1CCC2=CC(Br)=CC=C21 NO16081 [1,0,0,0,1,0|2,0,0]=4 93 B12R2.612 NC1CCC2=CC(F)=CC=C21 DY431475 [1,0,0,0,1,0|2,0,0]=4 94 B12R2.612 N[C@@H]1CCC2=CC(Cl)=CC=C21 DY572883 [1,0,0,0,1,0|2,0,0]=4