0 B8R1.7 CC(=O)C1=CC=NN1 9154AA [0,0,0,0,0,0|1,0,0]=1 1 B8R1.7 CC(=O)C1CCCN1 1442AJ [0,0,0,0,0,0|0,0,4]=4 2 B8R1.7 CC(N)C1=CN=CN1 9441AH [0,0,0,0,0,0|2,0,1]=3 3 B8R1.7 CC(N)C1=NNC=C1 Y5743 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 CC(O)C1=CC=CS1 2224AC [0,0,0,0,0,0|1,0,2]=3 5 B8R1.7 N=C(N)C1=NC=CS1 W4425 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.7 O=C(O)C1=NN=CO1 6208AC [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 O=[N+]([O-])C1=CC=CO1 9109AB [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 C=CC1=NC=CN1 5965AB [1,0,0,0,0,0|1,0,1]=3 9 B7R1.1 CNC1=CC=CS1 1494AC [1,0,0,0,0,0|2,0,0]=3 10 B7R1.1 COC1=CC=CN1 Y1596 [1,0,0,0,0,0|1,0,0]=2 11 B7R1.1 COC1=COC=C1 W1886 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.1 COC1=NSC=C1 Z1859 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.1 ClCC1=CC=CO1 Z5545 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 ClCC1=NC=CN1 5437AB [1,0,0,0,0,0|2,0,1]=4 15 B7R1.1 NNC1=NC=CN1 8325AH [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 O=CC1=CC=NO1 8334AA [1,0,0,0,0,0|2,0,0]=3 17 B9R1.11 CCC(N)C1=CC=CS1 7066AE [0,1,0,0,0,0|2,0,1]=4 18 B9R1.11 COC(=O)C1=CON=C1 4175AJ [0,1,0,0,0,0|3,0,0]=4 19 B9R1.11 C\C(=N/O)C1=CC=CO1 4345AE [0,1,0,0,0,0|1,0,1]=3 20 B9R1.11 C\C(=N/O)C1=CC=CO1 4346AE [0,1,0,0,0,0|1,0,1]=3 21 B9R1.11 C\C(=N/O)C1=CC=CS1 6597AD [0,1,0,0,0,0|1,0,1]=3 22 B9R1.11 NCC(O)C1=CC=CS1 9385AJ [0,1,0,0,0,0|1,0,2]=4 23 B9R1.11 NNC(=O)C1=NC=CO1 7606AH [0,1,0,0,0,0|2,0,1]=4 24 B9R1.19 CC(C)(C)C1=CC=CC1 5719AB [0,1,0,0,0,0|2,0,1]=4 25 B9R1.19 CS(=N)(=O)C1=NC=CS1 9063AJ [0,1,0,0,0,0|2,0,1]=4 26 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [0,1,0,0,0,0|1,0,1]=3 27 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.35 CC1=CSC(C(=O)Cl)=C1 Y2029 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.35 CC1=NNC(C(N)=O)=C1 4470AD [0,1,0,0,0,0|2,0,0]=3 30 B9R1.35 NC(=O)C1=NC=C(Br)S1 6538AC [0,1,0,0,0,0|2,0,1]=4 31 B9R1.35 O=C(O)C1=CN=C(Br)O1 X9980 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.41 CC(=O)C1=C(Cl)C=CS1 4837AC [0,1,0,0,0,0|1,0,0]=2 33 B9R1.41 CC(=O)C1=CNN=C1C X5410 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.41 CC1=C([N+](=O)[O-])OC=C1 Z5516 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.41 CN1C=CN=C1C(=N)N 9909AH [0,1,0,0,0,0|3,0,0]=4 36 B9R1.41 NC1=C(C(=O)O)C=CS1 W7009 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.41 O=C(O)C1=C(F)SC=C1 1036AC [0,1,0,0,0,0|3,0,0]=4 38 B7R0.4 C\C=C\COC(C)=O 7476AF [0,0,1,0,0,0|2,0,1]=4 39 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [0,0,0,0,0,1|2,0,1]=4 40 B9R1.6 C=C(Br)C1=NC=CC=C1 Y9784 [0,0,0,0,0,1|1,0,2]=4 41 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [0,0,0,0,0,1|1,0,0]=2 42 B9R1.6 CC(C)C1=NC=CN=C1 R572 [0,0,0,0,0,1|1,0,2]=4 43 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [0,0,0,0,0,1|2,0,1]=4 44 B9R1.6 CN(C)C1=CC=NC=C1 5677AH [0,0,0,0,0,1|3,0,0]=4 45 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [0,0,0,0,0,1|3,0,0]=4 46 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [0,0,0,0,0,1|3,0,0]=4 47 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [0,0,0,0,0,1|2,0,0]=3 48 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [0,0,0,0,0,1|1,0,1]=3 49 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [0,0,0,0,0,1|1,0,1]=3 50 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [0,0,0,0,0,1|1,0,1]=3 51 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [0,0,0,0,0,1|2,0,0]=3 52 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [0,0,0,0,0,1|2,0,0]=3 53 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [0,0,0,0,0,1|2,0,0]=3 55 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 7667AH [0,0,0,0,0,1|2,0,1]=4 56 B9R1.6 O=[PH]([O-])C1=CC=CC=C1 C359 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.13 CC(N)CC1=CC=CN1 9883AH [0,0,0,0,0,1|1,0,1]=3 58 B9R1.13 CC(N)CC1=CC=CS1 3185AB [0,0,0,0,0,1|2,0,1]=4 59 B6R0.4 CC\C=C\C(C)=O Y8265 [1,0,1,0,0,0|0,0,2]=4 60 B6R0.3 C=CC(N)C(=O)O 7462AB [1,0,1,0,0,0|1,0,1]=4 61 B6R0.3 C=C[C@H](N)C(=O)O 1008AC [1,0,1,0,0,0|1,0,1]=4 62 B6R1.2 BrC1=CC=C[Se]1 7160AA [2,0,0,0,0,0|2,0,0]=4 63 B6R1.2 CC1=NSC=C1 0717AC [2,0,0,0,0,0|1,0,1]=4 64 B6R1.2 CC1=[C-]CC=C1 Y1619 [2,0,0,0,0,0|1,0,1]=4 65 B6R1.2 IC1=CC=CO1 Z5539 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 NC1=CC=CS1 9765AB [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 NC1=CC=NN1 X3833 [2,0,0,0,0,0|2,0,0]=4 68 B6R1.2 O=C1C=CNC1 8696AB [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 O=C1CC=CN1 2602AB [2,0,0,0,0,0|0,0,1]=3 70 B6R1.2 OC1=CC=CS1 X5173 [2,0,0,0,0,0|1,0,1]=4 71 B6R1.2 [Mn]C1=CC=CC1 X6016 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.6 C\C=C\C=C\C(=O)OC 8249AL [0,1,1,0,0,0|1,0,0]=3 73 B8R0.3 C=CC[C@@H](N)C(=O)OC 8970AH [0,1,1,0,0,0|0,0,2]=4 74 B8R1.1 CSC1=CC=C(Br)S1 Z0912 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.1 N#CC1=CC(Br)=CN1 4214AA [1,1,0,0,0,0|1,0,1]=4 76 B8R1.1 O=CC1=COC(Br)=N1 1801AA [1,1,0,0,0,0|1,0,1]=4 77 B8R1.8 CNCC1=CC=CO1 6487AB [1,1,0,0,0,0|1,0,1]=4 78 B8R1.8 CNCC1=NC=CN1 4098AE [1,1,0,0,0,0|1,0,1]=4 79 B8R1.11 N#CC1=CC=CN1N W3457 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [0,1,0,0,0,1|2,0,0]=4 81 B10R1.13 NC1=CC=C(C(=O)O)C=N1 5387AH [0,1,0,0,0,1|1,0,1]=4 82 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 D232 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.15 C=C=C(C)C1=NC=CC=C1 9561AF [0,1,0,0,0,1|1,0,1]=4 84 B10R1.15 CNC(=O)C1=NC=CN=C1 4419AJ [0,1,0,0,0,1|0,0,1]=3 85 B10R1.15 CSC(=N)C1=CC=CN=C1 0332AD [0,1,0,0,0,1|1,0,1]=4 86 B10R1.15 CSC(=N)C1=CC=NC=C1 0163AD [0,1,0,0,0,1|2,0,0]=4 87 B10R1.15 CSC(=N)C1=NC=CC=C1 4542AF [0,1,0,0,0,1|1,0,1]=4 88 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [0,1,0,0,0,1|1,0,0]=3 89 B10R1.15 NNC(=O)C1=NN=CC=C1 4805AC [0,1,0,0,0,1|1,0,1]=4 90 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y2027 [0,1,0,0,0,1|0,0,1]=3 91 B10R1.61 NC1=CC=NC=C1C(=O)O Y7102 [0,1,0,0,0,1|1,0,1]=4 92 B10R1.61 O=C(O)C1=C(F)C=CN=C1 7628AA [0,1,0,0,0,1|1,0,1]=4 93 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [0,1,0,0,0,1|2,0,0]=4 94 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 7862AF [0,1,0,0,0,1|1,0,1]=4 96 B10R1.113 NC(=O)C1=NC(F)=CN=C1 1523AE [0,1,0,0,0,1|1,0,1]=4 97 B10R1.113 NC(=O)C1=NC=C[N+]([O-])=C1 1978AC [0,1,0,0,0,1|1,0,1]=4 98 B10R1.113 O=C(O)C1=CC(I)=CC=N1 6714AC [0,1,0,0,0,1|1,0,1]=4 99 B10R1.23 NC(C(=O)O)C1=CC=CO1 X7306 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.23 NC(C(=O)O)C1=CC=CS1 Y1430 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.23 O=C(O)C(=O)C1=CC=CO1 Y3293 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.54 CC(=O)NC1=NOC(C)=C1 5950AA [0,1,0,0,0,1|1,0,1]=4 103 B10R1.11 N#CCC(=O)C1=NC=CS1 9964AD [0,2,0,0,0,0|1,0,1]=4 104 B10R1.11 O=C(N=C=S)C1=CC=CO1 9963AE [0,2,0,0,0,0|1,0,1]=4 105 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 0225AE [0,2,0,0,0,0|1,0,0]=3 106 B10R1.14 COC(=O)C1=CC=C(I)O1 9757AL [0,2,0,0,0,0|1,0,0]=3 107 B10R1.14 COC(=O)C1=CN=C(N)[Se]1 Z2510 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.14 COC(=O)C1=NC=C(Br)S1 3661AA [0,2,0,0,0,0|1,0,1]=4 109 B10R1.149 CN1C=CC=C1\C(N)=N/O 4328AE [0,2,0,0,0,0|1,0,1]=4 110 B10R1.31 CSC1=NC=C(C(C)=O)N1 9375AH [0,2,0,0,0,0|1,0,0]=3 111 B10R1.31 O=C(O)C1=CC(CO)=CO1 Y6581 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 9222AE [0,2,0,0,0,0|1,0,1]=4 113 B10R1.59 CC(=O)N1CC(C)=CC1=O Y8809 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.194 NC1=NNC(C(=O)O)=C1Cl 1282AE [0,2,0,0,0,0|2,0,0]=4 115 B10R1.39 C=CN1C=CC=C1C(=O)O 1021AE [0,2,0,0,0,0|1,0,0]=3 116 B8R1.4 NC1=CC=NC(=O)N1 9012AB [0,0,1,1,0,0|2,0,0]=4 117 B8R1.4 NC1=NC(=O)C=CN1 5499AL [0,0,1,1,0,0|2,0,0]=4 118 B8R1.5 NC1=CC=CN=C1Cl 1676AJ [0,0,1,1,0,0|2,0,0]=4 119 B10R2.2 O=C1CC2=C(C1)NC=C2 9935AD [0,0,0,1,0,1|0,0,0]=2 120 B8R1.2 CNC1=CC=CC=C1 7883AF [1,0,0,0,0,1|2,0,0]=4 121 B8R1.2 O=CC1=CC=NC=C1 7668AH [1,0,0,0,0,1|1,0,0]=3 122 B8R1.2 O=CC1=NN=CC=N1 9261AH [1,0,0,0,0,1|1,0,1]=4 123 B8R1.2 O=[IH2]C1=CC=CC=C1 X3757 [1,0,0,0,0,1|2,0,0]=4 124 B10R1.18 CC(=O)CC1=NC=CC=N1 1768AC [0,0,0,0,0,2|0,0,1]=3