0 B10R1.21 CNCCCC1=CC=CO1 5597AD [0,0,0,0,0,0|1,0,0]=1 1 B10R1.21 NCCCCN1C=CN=C1 0376AD [0,0,0,0,0,0|4,0,0]=4 2 B10R1.21 OCCNCC1=CC=CS1 3616AF [0,0,0,0,0,0|2,1,0]=3 3 B9R1.12 BrCCCN1C=CC=C1 0267AA [1,0,0,0,0,0|3,0,0]=4 4 B9R1.12 CCCCC1=CC=CO1 5552AL [1,0,0,0,0,0|0,0,0]=1 5 B9R1.12 CCCCC1=NN=CO1 6161AC [1,0,0,0,0,0|2,0,0]=3 6 B9R1.12 CCNCC1=CC=CO1 7158AA [1,0,0,0,0,0|1,0,0]=2 7 B9R1.12 CCNCC1=CSC=N1 4173AF [1,0,0,0,0,0|3,0,0]=4 8 B9R1.12 CCOCC1=NC=CN1 V7222 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.12 NCCCC1=CC=CO1 3731AE [1,0,0,0,0,0|1,0,0]=2 10 B9R1.12 NCCCC1=CC=CS1 6482AE [1,0,0,0,0,0|1,1,0]=3 11 B9R1.12 NCCCN1C=CC=N1 1752AC [1,0,0,0,0,0|3,0,0]=4 12 B9R1.12 S=C=NCC1=CC=CO1 4029AE [1,0,0,0,0,0|2,0,1]=4 13 B11R1.4 CC#CCNCC1=CC=CO1 0281AD [0,1,0,0,0,0|0,0,2]=3 14 B11R1.4 CCCCOCC1=CC=CO1 Y1589 [0,1,0,0,0,0|0,0,0]=1 15 B11R1.4 COCCNCC1=CC=CS1 0723AF [0,1,0,0,0,0|1,1,0]=3 16 B11R1.4 COCCNCC1=CSC=C1 1714AF [0,1,0,0,0,0|3,0,0]=4 17 B11R1.4 COCCNCC1=NC=CS1 1975AF [0,1,0,0,0,0|2,1,0]=4 18 B11R1.4 NCCCNCC1=CC=CO1 7438AD [0,1,0,0,0,0|1,0,0]=2 19 B11R1.25 CNC(C)CCC1=CC=CO1 5055AD [0,1,0,0,0,0|1,0,0]=2 20 B11R1.25 COC(=O)CCC1=CC=CS1 8609AA [0,1,0,0,0,0|1,1,1]=4 21 B11R1.25 NCC(=O)NCC1=CC=CO1 0043AD [0,1,0,0,0,0|2,0,1]=4 22 B11R1.27 CC1=CC=C(CNCCO)O1 7558AD [0,1,0,0,0,0|2,0,0]=3 23 B11R1.29 CCCCC(=O)C1=CC=CO1 Z5508 [0,1,0,0,0,0|0,0,1]=2 24 B11R1.29 CCCCC(=O)C1=CC=CS1 Z5534 [0,1,0,0,0,0|0,1,1]=3 25 B11R1.29 CCSCC(=O)C1=CC=CS1 5708AB [0,1,0,0,0,0|1,1,1]=4 26 B11R1.29 CNCCC(O)C1=CC=CS1 2706AA [0,1,0,0,0,0|1,1,0]=3 27 B11R1.29 NCCNC(=O)C1=CC=CO1 0052AF [0,1,0,0,0,0|2,0,1]=4 28 B11R1.172 O=C(O)CSCC1=CC=CO1 2370AF [0,1,0,0,0,0|2,0,1]=4 29 B11R1.180 CCOCOC1=C(C)C=CO1 V8888 [0,1,0,0,0,0|2,0,0]=3 30 B9R0.45 C\C=C/CCCCCCC 7421AL [0,0,1,0,0,0|1,0,2]=4 31 B11R2.2 C1=CN(C2CCCC2)C=N1 5115AJ [0,0,0,1,0,0|3,0,0]=4 32 B11R2.2 C1=CNC(C2=NCCC2)=C1 7287AC [0,0,0,1,0,0|2,0,1]=4 33 B11R2.2 C1=COC(C2NCCS2)=C1 4793AE [0,0,0,1,0,0|2,0,0]=3 34 B11R2.2 C1=CSC(C2CCCN2)=C1 Q597 [0,0,0,1,0,0|1,1,0]=3 35 B11R2.2 C1=CSC(N2CCCC2)=N1 V6382 [0,0,0,1,0,0|2,1,0]=4 36 B11R2.2 C1=NNC(C2CCCC2)=N1 1022AD [0,0,0,1,0,0|3,0,0]=4 37 B11R2.18 C1=NN2CCCNCC2=C1 9527AJ [0,0,0,1,0,0|3,0,0]=4 38 B11R2.106 CC1NCCN2C=CC=C12 W8170 [0,0,0,1,0,0|3,0,0]=4 39 B11R2.106 NC1CCCC2=C1C=CS2 6003AE [0,0,0,1,0,0|1,1,0]=3 40 B11R2.385 C1=CSC(CNC2CC2)=C1 V3349 [0,0,0,1,0,0|1,1,0]=3 41 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [0,0,0,0,0,1|2,0,0]=3 42 B11R1.28 CNCCCC1=CC=CC=C1 3594AL [0,0,0,0,0,1|2,0,0]=3 43 B11R1.28 CNCCCC1=CC=CC=N1 7821AA [0,0,0,0,0,1|2,0,0]=3 44 B11R1.28 ClCCCOC1=CC=CC=C1 0684AE [0,0,0,0,0,1|3,0,0]=4 45 B11R1.28 ClCCNCC1=CC=CC=C1 3046AE [0,0,0,0,0,1|3,0,0]=4 46 B11R1.28 ClCCNCC1=CC=CC=C1 7007AE [0,0,0,0,0,1|3,0,0]=4 47 B11R1.28 ClCCOCC1=CC=CC=C1 8862AA [0,0,0,0,0,1|3,0,0]=4 48 B11R1.28 OCCCCC1=CC=CN=C1 5963AJ [0,0,0,0,0,1|2,0,0]=3 49 B11R1.28 OCCCCC1=CC=NC=C1 5977AJ [0,0,0,0,0,1|2,0,0]=3 50 B11R1.28 OCCCCC1=NC=CC=C1 6014AJ [0,0,0,0,0,1|2,0,0]=3 51 B11R1.28 OCCNCC1=CC=CC=N1 0192AC [0,0,0,0,0,1|3,0,0]=4 52 B11R1.28 OCCNCC1=CC=CN=C1 8414AE [0,0,0,0,0,1|3,0,0]=4 53 B8R0.1 C\C=C\C(=O)CCCC 5771AL [1,0,1,0,0,0|0,0,2]=4 54 B8R0.4 C=CCCCCCCC 8130AF [1,0,1,0,0,0|0,0,2]=4 55 B8R0.4 CCCCCC\C=C\I 0029AQ [1,0,1,0,0,0|1,0,1]=4 56 B8R0.4 C\C=C\CCCCCC 9212AL [1,0,1,0,0,0|0,0,2]=4 57 B8R0.6 C=CC(=O)NCCCC 2114AB [1,0,1,0,0,0|1,0,1]=4 58 B8R1.8 BrCCC1=CC=CS1 Z5496 [2,0,0,0,0,0|1,1,0]=4 59 B8R1.8 CCCC1=CC=CO1 Z5525 [2,0,0,0,0,0|0,0,0]=2 60 B8R1.8 CCCC1=CSC=C1 Z5466 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.8 CCCC1=NN=CO1 5829AA [2,0,0,0,0,0|2,0,0]=4 62 B8R1.8 CCNC1=CC=CS1 W4294 [2,0,0,0,0,0|1,1,0]=4 63 B8R1.8 CNCC1=CC=CO1 7008AC [2,0,0,0,0,0|1,0,0]=3 64 B8R1.8 CNCC1=CC=NO1 4172AJ [2,0,0,0,0,0|2,0,0]=4 65 B8R1.8 NCCC1=CC=CN1 1070AJ [2,0,0,0,0,0|2,0,0]=4 66 B10R0.91 CCCCCC(=O)\C=C\C=O 1416AH [0,1,1,0,0,0|0,0,1]=3 67 B10R0.4 CCCCCC\C=C\C(=O)O 5765AL [0,1,1,0,0,0|0,0,1]=3 68 B10R0.4 CCCCC\C=C\CC(=O)O 6140AL [0,1,1,0,0,0|0,0,1]=3 69 B10R0.71 C=C\C=C\C=C\CCCCC 4500AL [0,1,1,0,0,0|1,0,0]=3 70 B10R1.11 CCCC(=O)C1=CC=CO1 Z5524 [1,1,0,0,0,0|0,0,1]=3 71 B10R1.11 CCCC(N)C1=CC=CS1 4090AE [1,1,0,0,0,0|0,1,0]=3 72 B10R1.16 CCNCC1=CC=C(C)O1 5879AD [1,1,0,0,0,0|1,0,0]=3 73 B10R1.29 CCCCN1N=CC=C1I Z9784 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.66 CC(N)CCC1=CC=CO1 9476AE [1,1,0,0,0,0|0,0,0]=2 75 B12R1.1 CCCCOC1=NC=C(Br)C=N1 Z8409 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.1 CCCCOC1=NC=C(N)C=C1 7710AB [0,1,0,0,0,1|2,0,0]=4 77 B12R1.1 FC1=CC=C(CCCCCl)C=C1 W6874 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.1 N(CCC)CC1=CC=C(Cl)C=C1 5502AE [0,1,0,0,0,1|2,0,0]=4 79 B12R1.1 OCCCCC1=CC=C(Br)C=C1 2484AJ [0,1,0,0,0,1|2,0,0]=4 80 B12R1.8 CNCCCOC1=CC=CC=C1 5970AA [0,1,0,0,0,1|2,0,0]=4 81 B12R1.8 CNCCNCC1=CC=CC=C1 3159AL [0,1,0,0,0,1|2,0,0]=4 82 B12R1.8 NCCCNCC1=CC=CN=C1 7190AC [0,1,0,0,0,1|2,0,0]=4 83 B12R1.8 NCCCOCC1=CC=CC=C1 8527AA [0,1,0,0,0,1|2,0,0]=4 84 B12R1.8 NCCOCCC1=CC=CC=C1 0341AD [0,1,0,0,0,1|2,0,0]=4 85 B12R1.8 OCCCNCC1=CC=NC=C1 8741AE [0,1,0,0,0,1|2,0,0]=4 86 B12R1.8 OCCSCCC1=CC=NC=C1 9675AE [0,1,0,0,0,1|2,0,0]=4 87 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,1,0,0,0,1|1,0,1]=4 88 B12R1.28 CCCCCC1=CC(F)=CC=C1 2810AB [0,1,0,0,0,1|1,0,0]=3 89 B12R1.28 CCCCNC1=NC(Cl)=NC=C1 V7175 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.28 CCCCNC1=NC=NC(Cl)=C1 8752AD [0,1,0,0,0,1|2,0,0]=4 91 B12R1.28 CCCCOC1=CC=CC(N)=C1 7849AD [0,1,0,0,0,1|2,0,0]=4 92 B12R1.30 CCCCC(=O)C1=CC=CN=C1 8729AA [0,1,0,0,0,1|1,0,1]=4 93 B12R1.30 CCCCC(=O)C1=CC=NC=C1 8730AA [0,1,0,0,0,1|1,0,1]=4 94 B12R1.30 CCCCC(=O)C1=NC=CN=C1 5634AB [0,1,0,0,0,1|1,0,1]=4 95 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [0,1,0,0,0,1|2,0,0]=4 96 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [0,1,0,0,0,1|1,0,0]=3 97 B12R1.252 CC(O)CNCC1=CC=CC=C1 2537AB [0,1,0,0,0,1|2,0,0]=4 98 B12R1.267 CCCCOC1=CC=CC=C1N 3822AE [0,1,0,0,0,1|2,0,0]=4 99 B12R1.267 CCCSCC1=CC=CC=C1Br Z8838 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.7 CCCC#C\C=C1\C=CC(=O)O1 9635AF [0,2,0,0,0,0|0,0,2]=4 101 B12R1.7 CCCCCCC1=CSC(Br)=C1 5521AL [0,2,0,0,0,0|2,0,0]=4 102 B12R1.35 NCCCNC(=O)C1=CC=CO1 0344AD [0,2,0,0,0,0|1,0,1]=4 103 B12R1.37 CCCCCCCC1=CNC=C1 6055AL [0,2,0,0,0,0|2,0,0]=4 104 B12R1.37 CNCCCNCC1=CC=CO1 2258AF [0,2,0,0,0,0|0,0,0]=2 105 B12R1.37 COCCCNCC1=CC=CO1 3538AF [0,2,0,0,0,0|0,0,0]=2 106 B12R1.51 NCCC(=O)NCC1=CC=CO1 2260AD [0,2,0,0,0,0|1,0,1]=4 107 B12R1.51 O=C(CCCl)NCC1=CC=CO1 7254AE [0,2,0,0,0,0|1,0,1]=4 108 B12R1.255 CN(C)CCNCC1=CC=CO1 6949AE [0,2,0,0,0,0|1,0,0]=3 109 B12R1.255 CN(C)CCNCC1=CC=CS1 6947AE [0,2,0,0,0,0|1,1,0]=4 110 B12R1.255 NC(=O)CCNCC1=CC=CO1 0752AF [0,2,0,0,0,0|1,0,1]=4 111 B12R1.477 NCC(O)COCC1=CC=CO1 5185AE [0,2,0,0,0,0|1,0,0]=3 112 B12R1.264 CC(N)C(=O)NCC1=CC=CO1 2813AD [0,2,0,0,0,0|1,0,1]=4 113 B12R1.105 CC(C)CNCC1=CC=C(Br)S1 0522AA [0,2,0,0,0,0|1,1,0]=4 114 B12R1.130 CC1=C(CNCC(C)O)SC=C1 9628AC [0,2,0,0,0,0|1,1,0]=4 115 B10R1.17 CCCCC1=CC=CN=C1 X7086 [0,0,1,1,0,0|1,0,1]=4 116 B10R1.17 CCCCC1=NC=CC=C1 S413 [0,0,1,1,0,0|1,0,1]=4 117 B10R2.7 C1=CC2=C(CCCC2)N1 6444AA [1,0,0,1,0,0|1,0,0]=3 118 B10R2.7 C1=CC2=C(CCNC2)O1 6031AJ [1,0,0,1,0,0|1,0,0]=3 119 B10R2.7 C1=CC2=C(CNCC2)S1 9315AB [1,0,0,1,0,0|1,1,0]=4 120 B10R2.7 C1=NC2=C(CCCC2)N1 1363AB [1,0,0,1,0,0|2,0,0]=4 121 B10R2.136 C1=CSC(C2CCN2)=C1 9646AE [1,0,0,1,0,0|1,1,0]=4 122 B12R2.1 CNC1CCC2=C1C=CC=C2 4380AJ [0,0,0,1,0,1|2,0,0]=4 123 B12R2.1 NCC1CCC2=C1C=CC=C2 8443AH [0,0,0,1,0,1|2,0,0]=4 124 B12R2.2 C1=CC(C2CCCN2)=CC=N1 Q676 [0,0,0,1,0,1|2,0,0]=4 125 B12R2.2 C1=CC(C2CCNC2)=CC=N1 3704AC [0,0,0,1,0,1|2,0,0]=4 126 B12R2.2 C1=CC(C2CCNC2)=CC=N1 X4189 [0,0,0,1,0,1|2,0,0]=4 127 B12R2.2 C1=CC(C2CCNC2)=CN=C1 5164AH [0,0,0,1,0,1|2,0,0]=4 128 B12R2.2 C1=CC=C(C2CCCC2)C=C1 8394AE [0,0,0,1,0,1|1,0,0]=3 129 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 9247AJ [0,0,0,1,0,1|2,0,0]=4 130 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 9228AJ [0,0,0,1,0,1|2,0,0]=4 131 B12R2.2 C1=CC=C([S+]2CCCC2)C=C1 0152AF [0,0,0,1,0,1|2,0,0]=4 132 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [0,0,0,1,0,1|2,0,0]=4 133 B12R2.41 C1=CC2=C(CCCCC2)N=C1 0725AQ [0,0,0,1,0,1|1,0,0]=3 134 B12R2.41 C1=CC=C2CNCCCC2=C1 W8089 [0,0,0,1,0,1|2,0,0]=4 135 B12R2.1081 CC1CNCC2=C1C=CC=C2 1997AA [0,0,0,1,0,1|2,0,0]=4 136 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z3889 [0,0,0,1,0,1|2,0,0]=4 137 B12R2.1081 NC1CCCC2=C1N=CC=C2 Z4574 [0,0,0,1,0,1|2,0,0]=4 138 B12R2.1081 NC1CCCC2=CC=CC=C21 6757AB [0,0,0,1,0,1|2,0,0]=4 139 B12R2.1081 NC1CCCC2=CC=NC=C21 3016AJ [0,0,0,1,0,1|2,0,0]=4 140 B12R2.1081 NC1CCCC2=NC=CC=C21 5780AH [0,0,0,1,0,1|2,0,0]=4 141 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 B572 [0,0,0,1,0,1|2,0,0]=4 142 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 4707AB [0,0,0,1,0,1|2,0,0]=4 143 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 2977AH [0,0,0,1,0,1|2,0,0]=4 144 B12R2.1081 O[C@@H]1CCCC2=CC=CC=C21 1543AB [0,0,0,1,0,1|2,0,0]=4 145 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 6521AD [0,0,0,1,0,1|2,0,0]=4 146 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 V5734 [0,0,0,1,0,1|2,0,0]=4 147 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 Z9695 [0,0,0,1,0,1|2,0,0]=4 148 B12R2.2057 C1=CC=C(CNC2CC2)N=C1 6937AE [0,0,0,1,0,1|2,0,0]=4 149 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 V3942 [0,0,0,1,0,1|2,0,0]=4 150 B12R2.10 NC1=CC=NN1C2CCCC2 X2980 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.98 C1=CSC(CN2CCCC2)=C1 V3606 [0,1,0,1,0,0|0,1,0]=3 152 B12R2.315 CCC1NCCC2=C1C=CS2 8193AC [0,1,0,1,0,0|0,1,0]=3 153 B12R2.315 CCC1NCCN2C=CC=C12 0685AD [0,1,0,1,0,0|2,0,0]=4 154 B12R2.315 NC[C@@H]1CCCN2C=CC=C12 3978AA [0,1,0,1,0,0|2,0,0]=4 155 B12R2.6 BrC1=CN(C2CCCC2)N=C1 Z6353 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.6 CC1=NOC(C2CCCN2)=C1 0696AF [0,1,0,1,0,0|2,0,0]=4 157 B12R2.6 NC1=NN=C(C2CCCC2)O1 2690AF [0,1,0,1,0,0|2,0,0]=4 158 B12R2.6 NC1=NNC(C2CCCC2)=C1 2354AB [0,1,0,1,0,0|2,0,0]=4 159 B12R2.1041 NC1=NC2=C(CCCCC2)S1 4295AD [0,1,0,1,0,0|1,1,0]=4