0 B12R1.28 CC1=CC(CNCCN)=CC=C1 4252AF [0,0,0,0,0,0|4,0,0]=4 1 B12R1.28 CC1=CC(OCCCN)=CC=C1 8801AD [0,0,0,0,0,0|4,0,0]=4 2 B12R1.28 CCCCCC1=CC(F)=CC=C1 2810AB [0,0,0,0,0,0|2,0,0]=2 3 B12R1.28 CCCCNC1=NC(Cl)=NC=C1 V7175 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.28 CCCCOC1=CC=CC(N)=C1 7849AD [0,0,0,0,0,0|3,0,0]=3 5 B12R1.28 CNCCOC1=CC(C)=CC=C1 8135AC [0,0,0,0,0,0|4,0,0]=4 6 B12R1.28 CNCCOC1=CC(F)=CC=C1 8126AC [0,0,0,0,0,0|4,0,0]=4 7 B12R1.28 CNCCOC1=CC=CC(C)=C1 V4153 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.28 CNCCOC1=CC=CC(Cl)=C1 7624AC [0,0,0,0,0,0|4,0,0]=4 9 B12R1.28 ClC1=CC=CC(OCCCBr)=C1 1830AE [0,0,0,0,0,0|4,0,0]=4 10 B12R1.28 NCCCOC1=CC(Cl)=CC=C1 9754AC [0,0,0,0,0,0|4,0,0]=4 11 B12R1.28 NCCCOC1=CC(F)=CC=C1 5637AJ [0,0,0,0,0,0|4,0,0]=4 12 B12R1.28 NCCNCC1=CC=CC(Cl)=C1 7639AC [0,0,0,0,0,0|4,0,0]=4 13 B12R1.28 NCCNCC1=CC=CC(F)=C1 2750AD [0,0,0,0,0,0|4,0,0]=4 14 B11R1.24 CC1=CC(CCCO)=CC=C1 3205AH [1,0,0,0,0,0|3,0,0]=4 15 B11R1.24 CCCNC1=CC(C)=CC=C1 4247AD [1,0,0,0,0,0|3,0,0]=4 16 B11R1.24 CCCNC1=CC(Cl)=CC=C1 9833AD [1,0,0,0,0,0|3,0,0]=4 17 B11R1.24 CNCCC1=CC(C)=CC=C1 V2677 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.24 CNCCC1=CC=CC(Cl)=C1 V6388 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.24 CNCCC1=CC=CC(F)=C1 V6333 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.24 ClC1=CC(CCCBr)=CC=C1 V8963 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.24 OCCCC1=CC(O)=CC=C1 W3104 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.24 OCCCC1=CC=CC(Cl)=C1 V4535 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [1,0,0,0,0,0|2,0,0]=3 24 B11R1.28 CNCCCC1=CC=CC=C1 3594AL [1,0,0,0,0,0|2,0,0]=3 25 B11R1.28 CNCCCC1=CC=CC=N1 7821AA [1,0,0,0,0,0|2,0,0]=3 26 B11R1.28 ClCCCOC1=CC=CC=C1 0684AE [1,0,0,0,0,0|3,0,0]=4 27 B11R1.28 ClCCNCC1=CC=CC=C1 3046AE [1,0,0,0,0,0|3,0,0]=4 28 B11R1.28 ClCCNCC1=CC=CC=C1 7007AE [1,0,0,0,0,0|3,0,0]=4 29 B11R1.28 ClCCOCC1=CC=CC=C1 8862AA [1,0,0,0,0,0|3,0,0]=4 30 B11R1.28 OCCCCC1=CC=CN=C1 5963AJ [1,0,0,0,0,0|3,0,0]=4 31 B11R1.28 OCCCCC1=CC=NC=C1 5977AJ [1,0,0,0,0,0|3,0,0]=4 32 B11R1.28 OCCCCC1=NC=CC=C1 6014AJ [1,0,0,0,0,0|2,0,0]=3 33 B11R1.28 OCCNCC1=CC=CC=N1 0192AC [1,0,0,0,0,0|3,0,0]=4 34 B13R1.6 CCOCCOC1=CC(N)=CC=C1 8113AC [0,1,0,0,0,0|3,0,0]=4 35 B13R1.16 CCCCOC1=CC=CC(Cl)=C1Br V2597 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.16 CCCNCC1=C(F)C(Br)=CC=C1 Z9969 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.18 CCCCS(=O)C1=CC(Br)=CC=C1 Z8347 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.149 CC(C)CCOC1=CC(N)=CC=C1 9070AC [0,1,0,0,0,0|3,0,0]=4 39 B13R1.149 CC(C)CNCC1=CC=CC(F)=C1 Z6430 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.656 CCCNCC1=CC(Br)=CC=C1F Z6368 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.669 CCCCOC1=CC(C)=C(N)C=C1 4673AD [0,1,0,0,0,0|3,0,0]=4 42 B13R1.669 CCCCOC1=CC=C(Br)C(C)=C1 Z0278 [0,1,0,0,0,0|3,0,0]=4 43 B11R0.77 C=CC(CCCCC)OC(C)=O R548 [0,0,1,0,0,0|0,0,2]=3 44 B11R0.148 CCCCCCC\C=C/C(=O)O Z1707 [0,0,1,0,0,0|0,0,2]=3 45 B11R0.148 CCCCCC\C=C\CC(=O)O 6032AL [0,0,1,0,0,0|0,0,2]=3 46 B13R2.13 BrC1=CC=CC([C@@H]2CCCN2)=C1 1081AL [0,0,0,1,0,0|3,0,0]=4 47 B13R2.13 BrC1=CC=CC([C@H]2CCCN2)=C1 1073AL [0,0,0,1,0,0|3,0,0]=4 48 B13R2.13 ClC1=CC(C2CCNC2)=CC=C1 1870AA [0,0,0,1,0,0|3,0,0]=4 49 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 8569AH [0,0,0,1,0,0|3,0,0]=4 50 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 Q590 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 4837AJ [0,0,0,1,0,0|3,0,0]=4 52 B13R2.13 FC1=CC([C@H]2CCCN2)=CC=C1 4802AJ [0,0,0,1,0,0|3,0,0]=4 53 B13R2.13 FC1=CC([C@H]2CCCN2)=CC=C1 X6111 [0,0,0,1,0,0|3,0,0]=4 54 B13R2.13 FC1=CC=CC([C@H]2CCCN2)=C1 4801AJ [0,0,0,1,0,0|3,0,0]=4 55 B13R2.13 NC1=CC=CC(N2CCCC2)=C1 Y7126 [0,0,0,1,0,0|3,0,0]=4 56 B13R2.3021 BrC1=CC=CC(SC2CCC2)=C1 Z8143 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.3729 OC1=CC2=C(C=C1)OCCCC2 0200AE [0,0,0,1,0,0|2,0,1]=4 58 B13R2.5179 NC1CCCC2=C1C=CC(Br)=C2 6114AA [0,0,0,1,0,0|3,0,0]=4 59 B13R2.5179 O=C1C=CC2=C(CCCC2=O)N1 W3367 [0,0,0,1,0,0|2,0,1]=4 60 B13R2.5331 BrC1=CC=CC(OCC2CC2)=C1 Z9345 [0,0,0,1,0,0|3,0,0]=4 61 B13R2.5331 FC1=CC(CNC2CC2)=CC=C1 V9156 [0,0,0,1,0,0|3,0,0]=4 62 B11R1.27 CC1=CC=C(CNCCO)O1 7558AD [0,0,0,0,1,0|3,0,0]=4 63 B10R0.71 C=C\C=C\C=C\CCCCC 4500AL [1,0,1,0,0,0|1,0,0]=3 64 B10R0.91 CCCCCC(=O)\C=C\C=O 1416AH [1,0,1,0,0,0|0,0,1]=3 65 B10R0.4 CCCCCC\C=C\C(=O)O 5765AL [1,0,1,0,0,0|0,0,1]=3 66 B10R0.4 CCCCC\C=C\CC(=O)O 6140AL [1,0,1,0,0,0|0,0,1]=3 67 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [2,0,0,0,0,0|2,0,0]=4 68 B10R1.17 CCCCC1=CC=CN=C1 X7086 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.17 CCCCC1=NC=CC=C1 S413 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.17 COCCC1=NC=CC=C1 4987AL [2,0,0,0,0,0|2,0,0]=4 71 B10R1.17 NCCCC1=CC=CC=N1 7820AA [2,0,0,0,0,0|2,0,0]=4 72 B10R1.17 OCCCC1=NC=CC=C1 5625AJ [2,0,0,0,0,0|2,0,0]=4 73 B12R0.234 CCCCCCCC\C=C\C(=O)O 5804AL [0,1,1,0,0,0|0,0,2]=4 74 B12R0.248 CCC\C=C/C=C/C=C/C(=O)OC X6365 [0,1,1,0,0,0|0,0,2]=4 75 B12R1.100 CCCCC1=CC(F)=CC(F)=C1 4645AA [1,1,0,0,0,0|2,0,0]=4 76 B12R1.385 CCCCC1=CC=C(I)C(C)=C1 5845AD [1,1,0,0,0,0|2,0,0]=4 77 B12R1.1 CCCCOC1=NC=C(N)C=C1 7710AB [1,1,0,0,0,0|2,0,0]=4 78 B12R1.1 FC1=CC=C(CCCCCl)C=C1 W6874 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.1 N(CCC)CC1=CC=C(Cl)C=C1 5502AE [1,1,0,0,0,0|2,0,0]=4 80 B12R1.1 OCCCCC1=CC=C(Br)C=C1 2484AJ [1,1,0,0,0,0|2,0,0]=4 81 B12R1.8 CNCCCOC1=CC=CC=C1 5970AA [1,1,0,0,0,0|2,0,0]=4 82 B12R1.8 CNCCNCC1=CC=CC=C1 3159AL [1,1,0,0,0,0|2,0,0]=4 83 B12R1.8 NCCCOCC1=CC=CC=C1 8527AA [1,1,0,0,0,0|2,0,0]=4 84 B12R1.8 NCCOCCC1=CC=CC=C1 0341AD [1,1,0,0,0,0|2,0,0]=4 85 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [1,1,0,0,0,0|2,0,0]=4 87 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [1,1,0,0,0,0|1,0,0]=3 88 B12R1.252 CC(O)CNCC1=CC=CC=C1 2537AB [1,1,0,0,0,0|2,0,0]=4 89 B12R1.267 CCCCOC1=CC=CC=C1N 3822AE [1,1,0,0,0,0|2,0,0]=4 90 B12R1.267 CCCSCC1=CC=CC=C1Br Z8838 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.7 CCCC#C\C=C1\C=CC(=O)O1 9635AF [0,1,0,0,1,0|0,0,2]=4 92 B14R1.9 CCCCNCC1=C(F)C(Br)=CC=C1 Z9951 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.26 CC1=NC(CCCOCCO)=CC=C1 8492AE [0,2,0,0,0,0|2,0,0]=4 94 B14R1.26 CCCCCCOC1=CC(N)=CC=C1 5610AE [0,2,0,0,0,0|2,0,0]=4 95 B14R1.218 CCCCNCC1=CC(F)=CC=C1Br Z6433 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.228 CCCCCOC1=CC(C=O)=CC=C1 8121AD [0,2,0,0,0,0|1,0,0]=3 97 B14R1.899 CCCCOC1=CC(C(=O)O)=CC=C1 3558AF [0,2,0,0,0,0|2,0,0]=4 98 B12R1.1410 CCCCC[C@H]1O[C@@H]1\C=C\C=O 2078AH [0,0,1,1,0,0|0,0,2]=4 99 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 9184AB [1,0,0,1,0,0|2,0,0]=4 100 B12R2.24 CC1=CC=C2CCCCC2=N1 I670 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.24 O=C1C=CC2=C(CCNC2)N1 Z1680 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.1081 BrC1=CC=CC2=C1CCCC2 Y9619 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.1081 IC1=C2CCCCC2=CC=C1 3231AJ [1,0,0,1,0,0|2,0,0]=4 104 B12R2.1 CNC1CCC2=C1C=CC=C2 4380AJ [1,0,0,1,0,0|2,0,0]=4 105 B12R2.1 NCC1CCC2=C1C=CC=C2 8443AH [1,0,0,1,0,0|2,0,0]=4 106 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [1,0,0,1,0,0|1,0,0]=3 107 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 9247AJ [1,0,0,1,0,0|2,0,0]=4 108 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [1,0,0,1,0,0|2,0,0]=4 109 B12R2.2 C1=CC=C([S+]2CCCC2)C=C1 0152AF [1,0,0,1,0,0|2,0,0]=4 110 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [1,0,0,1,0,0|2,0,0]=4 111 B12R2.41 C1=CC2=C(CCCCC2)N=C1 0725AQ [1,0,0,1,0,0|1,0,0]=3 112 B12R2.41 C1=CC=C2CNCCCC2=C1 W8089 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 V5734 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 Z9695 [1,0,0,1,0,0|2,0,0]=4 115 B12R2.2057 C1=CC=C(CNC2CC2)N=C1 6937AE [1,0,0,1,0,0|2,0,0]=4 116 B14R2.21 BrC1=CC(C2CCNCC2)=CC=C1 W5682 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.21 CC1=CC(C2CCCNC2)=CC=C1 0081AD [0,1,0,1,0,0|2,0,0]=4 118 B14R2.21 CC1=CC(C2CCNCC2)=CC=C1 9927AE [0,1,0,1,0,0|2,0,0]=4 119 B14R2.21 ClC1=CC(N2CCCCC2)=CC=C1 Z6537 [0,1,0,1,0,0|2,0,0]=4 120 B14R2.21 FC1=CC(C2CCCNC2)=CC=C1 7135AC [0,1,0,1,0,0|2,0,0]=4 121 B14R2.21 FC1=CC(C2CCNCC2)=CC=C1 1061AA [0,1,0,1,0,0|2,0,0]=4 122 B14R2.21 FC1=CC(C2CCNCC2)=CC=C1 8032AC [0,1,0,1,0,0|2,0,0]=4 123 B14R2.21 OC1=CC(C2CCCCC2)=CC=C1 0069AB [0,1,0,1,0,0|1,0,1]=4 124 B14R2.21 OC1=CC(N2CCCCC2)=CC=C1 1503AA [0,1,0,1,0,0|1,0,1]=4 125 B14R2.716 FC1=CC=CC(CC2CCNC2)=C1 0939AD [0,1,0,1,0,0|2,0,0]=4 126 B14R2.716 NC1=CC=CC(OC2CCCC2)=C1 7470AE [0,1,0,1,0,0|2,0,0]=4 127 B14R2.1801 CN1CCCC2=C1C=CC(C=O)=C2 4248AE [0,1,0,1,0,0|2,0,0]=4 128 B10R1.16 CCNCC1=CC=C(C)O1 5879AD [1,0,0,0,1,0|2,0,0]=4 129 B10R1.21 CNCCCC1=CC=CO1 5597AD [1,0,0,0,1,0|1,0,0]=3