0 B7R1.3 BrC1=CC=NN=C1 X0257 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.3 C=C1CCCCC1 3293AA [0,0,0,0,0,0|1,0,2]=3 2 B7R1.3 CC1CC=CCC1 6594AL [0,0,0,0,0,0|1,0,3]=4 3 B7R1.3 C[C@@H]1CCCCN1 W3754 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 C[C@@H]1CCCNC1 8114AA [0,0,0,0,0,0|2,0,2]=4 5 B7R1.3 ClC1=CN=NC=C1 8831AA [0,0,0,0,0,0|3,0,1]=4 6 B7R1.3 ClC1=NC=CC=C1 7352AF [0,0,0,0,0,0|2,0,2]=4 7 B7R1.3 ClC1=NC=NC=C1 X3235 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.3 FC1=CC=NC=N1 Z6041 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.3 FC1=NC=CC=C1 7353AF [0,0,0,0,0,0|2,0,2]=4 10 B7R1.3 NC1=CC=CC=C1 2738AC [0,0,0,0,0,0|1,0,3]=4 11 B7R1.3 NC1=CC=CC=C1 5126AF [0,0,0,0,0,0|1,0,3]=4 12 B7R1.3 NC1=NCCSC1 8863AE [0,0,0,0,0,0|3,0,1]=4 13 B7R1.3 NC1CCCCN1 6271AB [0,0,0,0,0,0|2,0,2]=4 14 B7R1.3 N[C@@H]1CCCOC1 X8827 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.3 N[C@H]1CC=CCC1 9037AH [0,0,0,0,0,0|1,0,3]=4 16 B7R1.3 N[C@H]1CCCOC1 X6276 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.3 O=C1CC=CN=N1 Y4431 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.3 O=C1CCCNC1 7001AB [0,0,0,0,0,0|1,0,1]=2 19 B7R1.3 O=C1N=CC=CN1 9421AJ [0,0,0,0,0,0|2,0,2]=4 20 B7R1.3 O=S1CCCCC1 V2389 [0,0,0,0,0,0|1,0,2]=3 21 B7R1.3 OC1=CC=CC=C1 8781AL [0,0,0,0,0,0|0,0,4]=4 22 B7R1.3 OC1C=CCNC1 9589AH [0,0,0,0,0,0|1,0,2]=3 23 B7R1.3 OC1CC=CCC1 Y4155 [0,0,0,0,0,0|0,0,4]=4 24 B6R1.1 C1=CCCCC1 6616AH [1,0,0,0,0,0|0,0,1]=2 25 B6R1.1 C1CCNCC1 X3730 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.2 CCC1=NCCCC1 Y7557 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.2 O=CC1=CC=NC=C1 7668AH [0,1,0,0,0,0|1,0,2]=4 28 B8R1.2 O=CC1CCCCN1 Z3377 [0,1,0,0,0,0|1,0,2]=4 29 B8R1.2 O=[IH2]C1=CC=CC=C1 X3757 [0,1,0,0,0,0|0,0,3]=4 30 B8R1.3 NC1CCC(=O)CC1 X7969 [0,1,0,0,0,0|0,0,2]=3 31 B8R1.4 CC1=CC(O)CCC1 X4463 [0,1,0,0,0,0|0,0,2]=3 32 B8R1.4 CC1CCOC(=O)C1 2149AA [0,1,0,0,0,0|1,0,1]=3 33 B8R1.4 C[C@H]1CNCC(=O)N1 7823AA [0,1,0,0,0,0|2,0,1]=4 34 B8R1.4 NC1=NC(=O)C=CN1 5499AL [0,1,0,0,0,0|2,0,1]=4 35 B8R1.4 NC1CCCC(=O)C1 7456AA [0,1,0,0,0,0|0,0,2]=3 36 B8R1.4 NC1CCCC(=O)C1 V9436 [0,1,0,0,0,0|0,0,2]=3 37 B8R1.4 NC1CCNC(=O)C1 V1291 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.4 O=C1CNCC(=O)C1 4461AJ [0,1,0,0,0,0|1,0,1]=3 39 B8R1.5 CC1CCNCC1=O 2896AJ [0,1,0,0,0,0|1,0,1]=3 40 B8R1.5 O=C1CCOCC1Br 4586AF [0,1,0,0,0,0|1,0,2]=4 41 B8R1.5 O=C1CCOCC1Cl 2253AJ [0,1,0,0,0,0|1,0,2]=4 42 B6R0.1 C=CC(=O)COC S897 [0,0,1,0,0,0|1,0,0]=2 43 B6R0.1 CCOC(=O)CF C411 [0,0,1,0,0,0|2,0,1]=4 44 B6R0.1 COC(=O)CCN 5700AB [0,0,1,0,0,0|2,0,1]=4 45 B6R0.1 C\C=C\C(C)CC 6598AL [0,0,1,0,0,0|1,0,1]=3 46 B6R0.4 CC(C)=CCCBr 1398AB [0,0,1,0,0,0|2,0,1]=4 47 B6R0.4 CC\C=C\C(C)=O Y8265 [0,0,1,0,0,0|0,0,0]=1 48 B6R1.2 BrC1=CC=C[Se]1 7160AA [0,0,0,0,1,0|2,0,1]=4 49 B6R1.2 BrC1=CNC=C1 3908AC [0,0,0,0,1,0|2,0,1]=4 50 B6R1.2 CC1=NSC=C1 0717AC [0,0,0,0,1,0|3,0,0]=4 51 B6R1.2 CC1=[C-]CC=C1 Y1619 [0,0,0,0,1,0|1,0,1]=3 52 B6R1.2 CC1C=COC1 8769AA [0,0,0,0,1,0|2,0,1]=4 53 B6R1.2 ClC1=CNC=C1 X3741 [0,0,0,0,1,0|2,0,1]=4 54 B6R1.2 IC1=CC=CO1 Z5539 [0,0,0,0,1,0|2,0,1]=4 55 B6R1.2 N=C1SCCS1 S757 [0,0,0,0,1,0|3,0,0]=4 56 B6R1.2 NC1=CC=CS1 9765AB [0,0,0,0,1,0|2,0,1]=4 57 B6R1.2 NC1=CC=NN1 X3833 [0,0,0,0,1,0|3,0,0]=4 58 B6R1.2 NC1=CNC=C1 2960AB [0,0,0,0,1,0|2,0,1]=4 59 B6R1.2 NC1=CSC=C1 W3870 [0,0,0,0,1,0|2,0,1]=4 60 B6R1.2 NC1=NCCS1 D810 [0,0,0,0,1,0|3,0,0]=4 61 B6R1.2 NC1CCCC1 0142AP [0,0,0,0,1,0|1,0,2]=4 62 B6R1.2 NN1CCCC1 9623AB [0,0,0,0,1,0|2,0,1]=4 63 B6R1.2 O=C1C=CNC1 8696AB [0,0,0,0,1,0|1,0,0]=2 64 B6R1.2 O=C1CC=CN1 2602AB [0,0,0,0,1,0|1,0,1]=3 65 B6R1.2 O=C1CCNC1 R079 [0,0,0,0,1,0|1,0,1]=3 66 B6R1.2 O=C1CS[Ca]O1 7318AL [0,0,0,0,1,0|3,0,0]=4 67 B6R1.2 OC1=CC=CS1 X5173 [0,0,0,0,1,0|1,0,2]=4 68 B6R1.2 OC1CCCO1 5572AJ [0,0,0,0,1,0|1,0,2]=4 69 B6R1.2 [Mn]C1=CC=CC1 X6016 [0,0,0,0,1,0|1,0,1]=3 70 B8R1.22 O=C1CCCCCN1 X5632 [0,0,0,0,0,1|0,0,2]=3 71 B8R1.22 O=S1CCCNCC1 1742AA [0,0,0,0,0,1|1,0,2]=4 72 B5R0.1 CC(=O)CCS U742 [1,0,1,0,0,0|1,0,1]=4 73 B5R0.1 CCCC(=O)[O-] M135 [1,0,1,0,0,0|1,0,0]=3 74 B5R0.1 CCO[PH](C)=O 8330AA [1,0,1,0,0,0|2,0,0]=4 75 B5R0.2 C=C\C=C\C=O Y1559 [1,0,1,0,0,0|0,0,2]=4 76 B5R0.2 C=C\C=C\CC 4582AL [1,0,1,0,0,0|0,0,1]=3 77 B5R0.2 CCO\C=C/Br 7961AD [1,0,1,0,0,0|2,0,0]=4 78 B5R0.2 COCCC=O Y8542 [1,0,1,0,0,0|1,0,1]=4 79 B5R0.2 O=CCCC=O N715 [1,0,1,0,0,0|1,0,0]=3 80 B5R0.3 C=CC(=O)CBr V2439 [1,0,1,0,0,0|1,0,0]=3 81 B5R0.3 C=CC(=O)CCl 0235AP [1,0,1,0,0,0|1,0,0]=3 82 B5R0.3 CCC(=O)CN 2095AC [1,0,1,0,0,0|1,0,1]=4 83 B5R0.3 COC(=O)C=O Y1686 [1,0,1,0,0,0|2,0,0]=4 84 B5R0.3 COC(=O)CN W7382 [1,0,1,0,0,0|2,0,0]=4 85 B7R0.2 C=CC(=O)C=C(C)C 5582AA [0,1,1,0,0,0|0,0,2]=4 86 B7R0.2 CC(C)CC(=O)CBr Y8593 [0,1,1,0,0,0|1,0,1]=4 87 B7R0.2 COC(=O)C=C(F)F X3768 [0,1,1,0,0,0|2,0,0]=4 88 B7R0.2 COC(=O)\C=C(\C)F 4465AA [0,1,1,0,0,0|1,0,0]=3 89 B7R0.3 C=CCOC(=O)CC 7475AF [0,1,1,0,0,0|0,0,2]=4 90 B7R0.3 CCC(=O)\C=C\C=O Z6191 [0,1,1,0,0,0|0,0,1]=3 91 B7R0.3 CCCOC(=O)CCl U589 [0,1,1,0,0,0|1,0,1]=4 92 B7R0.3 CCCOC(=O)CN 3440AL [0,1,1,0,0,0|1,0,1]=4 93 B7R0.3 CC\C=C\C(=O)OC Y2122 [0,1,1,0,0,0|1,0,0]=3 94 B7R0.3 COC(=O)CCCO 3568AL [0,1,1,0,0,0|1,0,1]=4 95 B7R0.3 COC(=O)\C=C\C=O 1381AC [0,1,1,0,0,0|1,0,1]=4 96 B7R0.3 C\C=C(/C)CCCC 6098AL [0,1,1,0,0,0|1,0,1]=4 97 B7R0.5 C=C(C)C(=O)NCO V0404 [0,1,1,0,0,0|2,0,0]=4 98 B7R0.5 C=C(Cl)C(=O)OCC 7371AF [0,1,1,0,0,0|1,0,0]=3 99 B7R0.5 CCCC(=O)C(=O)[O-] 7377AF [0,1,1,0,0,0|1,0,0]=3 100 B7R0.5 CCOC(=O)[C@H](C)Cl 9674AJ [0,1,1,0,0,0|1,0,1]=4 101 B7R0.7 CCNC(=O)OCC 7331AF [0,1,1,0,0,0|1,0,1]=4 102 B7R0.7 CCOC(=O)CCN 5625AC [0,1,1,0,0,0|1,0,1]=4 103 B7R0.10 CCC(C)C(=O)SC U625 [0,1,1,0,0,0|1,0,1]=4 104 B7R0.10 COC(=O)\C(C)=C\Br 1158AL [0,1,1,0,0,0|2,0,0]=4 105 B7R0.4 C=CCCOC(=O)Cl Y4611 [0,1,1,0,0,0|1,0,1]=4 106 B7R0.4 CC(=O)OCCC=O 9702AA [0,1,1,0,0,0|1,0,1]=4 107 B7R0.4 CCCC=C[N+](=O)[O-] 9974AL [0,1,1,0,0,0|2,0,0]=4 108 B7R0.4 CCC\C=C\C(C)C 7959AF [0,1,1,0,0,0|1,0,1]=4 109 B7R0.4 C\C=C\COC(C)=O 7476AF [0,1,1,0,0,0|0,0,2]=4 110 B7R0.4 NC(=O)COCCO 7275AF [0,1,1,0,0,0|2,0,0]=4 111 B7R0.4 NOCCCC(=O)O V9806 [0,1,1,0,0,0|2,0,0]=4 112 B7R0.6 CC(O)\C=C\C(C)O 7517AF [0,1,1,0,0,0|0,0,2]=4 113 B7R0.1 C=CCOCCOC 9825AA [0,1,1,0,0,0|2,0,0]=4 114 B7R0.1 O=CNCCNC=O 7252AF [0,1,1,0,0,0|2,0,0]=4 115 B7R1.1 O=CC1=CC=NO1 8334AA [0,1,0,0,1,0|2,0,0]=4 116 B7R1.2 C=C1C=CC(=O)O1 1661AA [0,1,0,0,1,0|1,0,1]=4 117 B7R1.2 CC1CCC(=O)C1 7470AF [0,1,0,0,1,0|0,0,1]=3 118 B7R1.4 CC1=C(S)CCO1 R544 [0,1,0,0,1,0|1,1,0]=4 119 B7R1.4 NC1=CCOC1=O 3957AB [0,1,0,0,1,0|1,0,0]=3 120 B7R1.4 NC1CCNC1=O W4818 [0,1,0,0,1,0|1,0,0]=3 121 B7R1.4 N[C@@H]1CCNC1=O 1294AB [0,1,0,0,1,0|1,0,0]=3 122 B7R1.4 N[C@H]1CCNC1=O 5681AB [0,1,0,0,1,0|1,0,0]=3 123 B7R1.4 O=C1OCC=C1Br 1872AC [0,1,0,0,1,0|1,0,0]=3 124 B9R1.5 O=C1CCCCCC1Br 9448AE [0,1,0,0,0,1|0,0,2]=4 125 B9R1.2 OC[C@@H]1CC=C[C@H](O)C1 8910AH [0,2,0,0,0,0|0,0,2]=4 126 B9R1.6 CC(=O)C1=NCCCC1 2565AB [0,2,0,0,0,0|1,0,1]=4 127 B9R1.6 O=[N+]([O-])C1=CCCCC1 Y8459 [0,2,0,0,0,0|0,0,1]=3 128 B9R1.10 CC1(C)CCC(=O)NC1 5315AB [0,2,0,0,0,0|1,0,1]=4 129 B9R1.69 CC1CNC(=O)CC1=O X9250 [0,2,0,0,0,0|1,0,1]=4 130 B9R1.69 CC1CNC(=O)NC1=O K164 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.69 CN1CCC(N)CC1=O 2791AF [0,2,0,0,0,0|1,0,1]=4 132 B9R1.69 NC1CCC(=O)NC1=O 9455AJ [0,2,0,0,0,0|1,0,0]=3 133 B9R1.69 N[C@@H]1CCC(=O)NC1=O 8996AH [0,2,0,0,0,0|1,0,0]=3 134 B9R1.3 O=C1NCCC(O)C1Cl 9133AF [0,2,0,0,0,0|1,0,1]=4 135 B9R1.66 CC1(C)CC=CC(=O)C1 Y6245 [0,2,0,0,0,0|0,0,0]=2 136 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [0,0,1,1,0,0|2,0,0]=4 137 B7R1.24 C1=CCCCC=C1 5492AB [0,0,1,1,0,0|1,0,0]=3 138 B9R2.39 OC1CC2C=CC1C2 X4118 [0,1,0,1,0,0|1,0,1]=4 139 B5R1.1 C1CCOC1 V2332 [1,0,0,0,1,0|1,0,1]=4 140 B5R1.1 C1CNNC1 4465AJ [1,0,0,0,1,0|2,0,0]=4 141 B5R1.1 C1CNOC1 4176AJ [1,0,0,0,1,0|2,0,0]=4