0 B14R2.5637 C[C@H]1CNCCC2=C1C=C(Cl)C=C2 35820 [0,0,0,0,0,0|0,0,0]=0 1 B14R2.5637 O=C1CCCNC2=C1C=C(Cl)C=C2 17352 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.3729 ClC1=NC2=C(C=C1)CCNCC2 15990 [1,0,0,0,0,0|1,0,0]=2 3 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 13787 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.9 CCCCCOC1=CC=C(O)C=C1 13207 [0,0,1,0,0,0|3,0,0]=4 5 B13R2.162 CC1=CC=C2CCCC(=O)C2=C1 27887 [0,0,0,0,1,0|2,0,1]=4 6 B13R2.162 CN1CCCC2=CC=C(N)C=C21 24593 [0,0,0,0,1,0|2,0,0]=3 7 B13R2.162 NC1CCOC2=CC=C(Br)C=C21 27749 [0,0,0,0,1,0|2,1,0]=4 8 B13R2.162 NC1COCC2=CC=C(Br)C=C21 14607 [0,0,0,0,1,0|2,1,0]=4 9 B13R2.162 Nc1ccc2c(c1)C(=O)CCC2 22636 [0,0,0,0,1,0|2,0,1]=4 10 B13R2.162 O=C1CCCC2=CC=C(Br)C=C12 16175 [0,0,0,0,1,0|1,1,1]=4 11 B13R2.162 O=C1CCCC2=CC=C(Cl)C=C12 13790 [0,0,0,0,1,0|1,0,1]=3 12 B13R2.162 O=C1CCCC2=CC=C(F)C=C12 17908 [0,0,0,0,1,0|1,1,1]=4 13 B13R2.162 O=C1CCCC2=CC=C(I)C=C12 17909 [0,0,0,0,1,0|1,1,1]=4 14 B13R2.162 O=C1CCCC2=CC=C(O)C=C12 27888 [0,0,0,0,1,0|2,0,1]=4 15 B13R2.162 O=C1CCNC2=CC=C(Cl)C=C12 33403 [0,0,0,0,1,0|2,0,1]=4 16 B13R2.162 O=C1CCOC2=CC=C(Cl)C=C12 17931 [0,0,0,0,1,0|2,0,1]=4 17 B12R1.1 CCCCCC1=CC=C(N)C=C1 20586 [1,0,1,0,0,0|1,0,0]=3 18 B12R1.1 CCCCCC1=CN=C(Cl)N=C1 9038 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.1 CCCCCc1ccc(Br)cc1 10634 [1,0,1,0,0,0|0,1,0]=3 20 B12R1.1 CCCCOC1=CC=C(O)C=C1 13206 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 19179 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.8 NCCCCCC1=CC=CC=C1 12508 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.8 OCCCCCC1=CC=CC=C1 34219 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.17 CNC[C@H](O)c1cccc(O)c1 23988 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.17 NC(CCO)C1=CC(Cl)=CC=C1 23460 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.17 N[C@H](CCO)C1=CC(Cl)=CC=C1 20484 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.46 COC1=C(C(C)C)C=C(C)C=C1 44855 [1,0,1,0,0,0|2,0,0]=4 28 B12R2.41 C1=CC2=C(C=C1)CCNCC2 17660 [2,0,0,0,0,0|0,0,0]=2 29 B12R2.41 C1=CC2=C(C=C1)CCNCC2 27339 [2,0,0,0,0,0|0,0,0]=2 30 B14R1.14 CCCCCCOC1=CC=C(O)C=C1 13208 [0,1,1,0,0,0|2,0,0]=4 31 B14R2.6126 ClC1=NC2=C(CCNCC2)C(Cl)=N1 15418 [1,1,0,0,0,0|2,0,0]=4 32 B14R2.4536 CC1(C)CCNC2=CC=C(Br)C=C21 17959 [0,1,0,0,1,0|1,1,0]=4 33 B14R2.4536 CC1(C)CCSC2=C1C=C(Br)C=C2 27313 [0,1,0,0,1,0|1,1,0]=4 34 B14R2.11684 CCN1CCCC2=CC=C(N)C=C21 5888 [0,1,0,0,1,0|2,0,0]=4 35 B14R2.68 BrC1=CC=C(C2CCCNC2)C=C1 17291 [0,0,1,1,0,0|0,1,0]=3 36 B14R2.68 BrC1=CC=C(C2CNCCO2)C=C1 17307 [0,0,1,1,0,0|1,1,0]=4 37 B14R2.68 NC1=CC=C(C2CCCNC2)C=C1 17304 [0,0,1,1,0,0|1,0,0]=3 38 B14R2.68 OC1=CC=C(C2CCCCC2)C=C1 11051 [0,0,1,1,0,0|2,0,0]=4 39 B14R2.21 ClC1=CC=CC(C2CCNCC2)=C1 23461 [0,0,1,1,0,0|2,0,0]=4 40 B14R2.21 ClC1=CC=CC(C2CSCCN2)=C1 18200 [0,0,1,1,0,0|2,0,0]=4 41 B14R2.21 OC1=CC(C2CCCCC2)=CC=C1 21094 [0,0,1,1,0,0|2,0,0]=4 42 B14R3.2531 C1=CC2=C(C=C1)C3CNCC2C3 19197 [1,0,0,1,0,0|0,0,0]=2 43 B14R3.2531 C1=CC2=C(C=C1)C3CNCC2C3 19199 [1,0,0,1,0,0|0,0,0]=2 44 B12R2.24 BrC1=CC2=C(CCNC2)N=C1 14710 [1,0,0,0,1,0|1,1,0]=4 45 B12R2.24 BrC1=CC=C2CCCNC2=C1 25212 [1,0,0,0,1,0|1,1,0]=4 46 B12R2.24 BrC1=CC=C2CCCOC2=C1 34276 [1,0,0,0,1,0|1,1,0]=4 47 B12R2.24 BrC1=CC=C2CCNCC2=C1 24727 [1,0,0,0,1,0|0,1,0]=3 48 B12R2.24 BrC1=CC=C2CNCCC2=C1 24726 [1,0,0,0,1,0|0,1,0]=3 49 B12R2.24 BrC1=CC=C2COCCC2=C1 27929 [1,0,0,0,1,0|1,1,0]=4 50 B12R2.24 BrC1=CC=C2NCCCC2=C1 24715 [1,0,0,0,1,0|1,1,0]=4 51 B12R2.24 BrC1=CC=C2OCCCC2=C1 34593 [1,0,0,0,1,0|1,1,0]=4 52 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 34257 [1,0,0,0,1,0|1,1,0]=4 53 B12R2.24 CC1=NC2=C(C=C1)CCCC2 5920 [1,0,0,0,1,0|2,0,0]=4 54 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 34210 [1,0,0,0,1,0|2,0,0]=4 55 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 27891 [1,0,0,0,1,0|2,0,0]=4 56 B12R2.24 ClC1=CC2=C(CCNC2)N=C1 24805 [1,0,0,0,1,0|1,0,0]=3 57 B12R2.24 ClC1=CC2=C(CCNC2)N=N1 14735 [1,0,0,0,1,0|2,0,0]=4 58 B12R2.24 ClC1=CC2=C(CNCC2)N=N1 15991 [1,0,0,0,1,0|2,0,0]=4 59 B12R2.24 ClC1=CC=C2CCCNC2=C1 34604 [1,0,0,0,1,0|1,0,0]=3 60 B12R2.24 ClC1=CC=C2CCCNC2=N1 34152 [1,0,0,0,1,0|2,0,0]=4 61 B12R2.24 ClC1=CC=C2CCNCC2=C1 31894 [1,0,0,0,1,0|0,0,0]=2 62 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 14855 [1,0,0,0,1,0|1,0,0]=3 63 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 22778 [1,0,0,0,1,0|2,0,0]=4 64 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 25504 [1,0,0,0,1,0|2,0,0]=4 65 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 15432 [1,0,0,0,1,0|2,0,0]=4 66 B12R2.24 ClC1=NC2=C(C=N1)CNCC2 23699 [1,0,0,0,1,0|2,0,0]=4 67 B12R2.24 ClC1=NC2=C(CCCC2)N=C1 34658 [1,0,0,0,1,0|2,0,0]=4 68 B12R2.24 FC1=CC=C2CCNCC2=C1 31895 [1,0,0,0,1,0|0,1,0]=3 69 B12R2.24 FC1=CC=C2CNCCC2=C1 35560 [1,0,0,0,1,0|0,1,0]=3 70 B12R2.24 FC1=CC=C2NCCCC2=C1 27932 [1,0,0,0,1,0|1,1,0]=4 71 B12R2.24 NC1=CC2=C(CCNC2)N=C1 22967 [1,0,0,0,1,0|2,0,0]=4 72 B12R2.24 NC1=CC=C2CCCNC2=C1 5887 [1,0,0,0,1,0|2,0,0]=4 73 B12R2.24 NC1=CC=C2CCNCC2=C1 34159 [1,0,0,0,1,0|1,0,0]=3 74 B12R2.24 OC1=CC2=C(C=C1)CCCC2 15404 [1,0,0,0,1,0|1,0,0]=3 75 B12R2.24 OC1=CC2=C(CCNC2)N=C1 17766 [1,0,0,0,1,0|2,0,0]=4 76 B12R2.24 OC1=CC=C2CCCNC2=C1 12787 [1,0,0,0,1,0|2,0,0]=4 77 B12R2.24 OC1=CC=C2CNCCC2=C1 13941 [1,0,0,0,1,0|1,0,0]=3 78 B12R2.24 OC1=CC=C2CNCCC2=C1 8301 [1,0,0,0,1,0|1,0,0]=3 79 B12R2.24 OC1=CC=C2NCCCC2=C1 12785 [1,0,0,0,1,0|2,0,0]=4 80 B12R2.24 OC1=CC=C2OCCCC2=C1 25609 [1,0,0,0,1,0|2,0,0]=4 81 B12R2.1081 CC1NCCC2=CC=CC=C21 13018 [1,0,0,0,1,0|0,0,0]=2 82 B12R2.1081 NC1CCCC2=C1N=CC=C2 27889 [1,0,0,0,1,0|2,0,0]=4 83 B12R2.1081 NC1CCCC2=CC=CC=C21 14041 [1,0,0,0,1,0|1,0,0]=3 84 B12R2.1081 NC1CCOC2=CC=CC=C21 27739 [1,0,0,0,1,0|2,0,0]=4 85 B12R2.1081 NC1COCC2=CC=CC=C21 14613 [1,0,0,0,1,0|2,0,0]=4 86 B12R2.1081 NC1CSCC2=CC=CC=C21 14610 [1,0,0,0,1,0|2,0,0]=4 87 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 13011 [1,0,0,0,1,0|1,0,0]=3 88 B12R2.1081 N[C@H]1CCCc2ccccc21 11534 [1,0,0,0,1,0|1,0,0]=3 89 B12R2.1081 O=C1CCCC2=CC=CC=C12 13786 [1,0,0,0,1,0|1,0,1]=4 90 B12R2.1081 OC1CCCC2=C1N=CC=C2 17102 [1,0,0,0,1,0|2,0,0]=4 91 B12R2.1081 OC1CCNC2=CC=CC=C21 31803 [1,0,0,0,1,0|2,0,0]=4 92 B12R2.132 CC1=NNC2=CC=C(Cl)C=C21 32533 [0,0,0,0,2,0|1,0,1]=4 93 B12R2.132 NC1CCC2=CC=C(O)C=C21 23073 [0,0,0,0,2,0|2,0,0]=4 94 B12R2.132 N[C@@H]1CCc2ccc(O)cc21 23068 [0,0,0,0,2,0|2,0,0]=4 95 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 13778 [0,0,0,0,2,0|1,0,1]=4 96 B12R2.132 O=C1NCC2=CC=C(Cl)C=C12 16925 [0,0,0,0,2,0|1,0,1]=4 97 B12R2.132 O=S1CNC2=C1C=C(Cl)C=C2 21833 [0,0,0,0,2,0|2,0,0]=4