0 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 C=C(Br)C1=NC=CC=C1 Y9784 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CC(=O)C1=NCCCC1 2565AB [0,0,0,0,0,0|1,0,3]=4 4 B9R1.6 CC(C)C1=NC=CN=C1 R572 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [0,0,0,0,0,0|4,0,0]=4 8 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 7667AH [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 O=[N+]([O-])C1=CN=CN=C1 9527AL [0,0,0,0,0,0|4,0,0]=4 18 B9R1.6 O=[PH]([O-])C1=CC=CC=C1 C359 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 BrCC1=CN=CC=C1 0834AC [1,0,0,0,0,0|2,0,1]=4 20 B8R1.2 BrCC1=NC=CC=C1 8088AB [1,0,0,0,0,0|2,0,1]=4 21 B8R1.2 BrCC1=NC=CN=C1 Y9584 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.2 CNC1=CC=CC=C1 7883AF [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 O=CC1=CC=NC=C1 7668AH [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 O=CC1=NN=CC=N1 9261AH [1,0,0,0,0,0|1,0,0]=2 25 B8R1.2 O=[IH2]C1=CC=CC=C1 X3757 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.13 CC1=CC=C(C(=N)N)C=N1 W4264 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.13 CC1=CC=C(C(N)=S)C=N1 5826AD [0,1,0,0,0,0|2,1,0]=4 28 B10R1.13 NC(=S)C1=CC=C(N)C=N1 6243AA [0,1,0,0,0,0|2,1,0]=4 29 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [0,1,0,0,0,0|3,0,0]=4 30 B10R1.13 NC1=CC=C(C(=O)O)C=N1 5387AH [0,1,0,0,0,0|2,0,0]=3 31 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 D232 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.15 C=C=C(C)C1=NC=CC=C1 9561AF [0,1,0,0,0,0|2,0,0]=3 33 B10R1.15 CNC(=O)C1=NC=CN=C1 4419AJ [0,1,0,0,0,0|0,0,0]=1 34 B10R1.15 CSC(=N)C1=CC=CN=C1 0332AD [0,1,0,0,0,0|2,0,0]=3 35 B10R1.15 CSC(=N)C1=NC=CC=C1 4542AF [0,1,0,0,0,0|2,0,0]=3 36 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.15 NNC(=O)C1=NN=CC=C1 4805AC [0,1,0,0,0,0|3,0,0]=4 38 B10R1.15 O[C@@H](CCl)C1=CC=CN=C1 8986AA [0,1,0,0,0,0|1,0,2]=4 39 B10R1.28 CC(C)(C)C1=NC=CC=C1 X6358 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.28 CC(C)(N)C1=NC=CC=C1 9271AH [0,1,0,0,0,0|2,0,1]=4 41 B10R1.28 O=S(=O)(Cl)C1=NC=CN=C1 9634AA [0,1,0,0,0,0|2,0,0]=3 42 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y2027 [0,1,0,0,0,0|1,0,0]=2 43 B10R1.61 CC(O)C1=C(N)C=CC=N1 9430AH [0,1,0,0,0,0|1,0,2]=4 44 B10R1.61 N=C(N)C1=NC=CC=C1Cl 2233AJ [0,1,0,0,0,0|3,0,0]=4 45 B10R1.61 NC(=O)C1=C(N)N=CN=C1 Z2814 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.61 NC1=CC=NC=C1C(=O)O Y7102 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.61 NC1=NC=NC=C1C(=O)O 5566AH [0,1,0,0,0,0|3,0,0]=4 48 B10R1.61 O=C(O)C1=C(F)C=CN=C1 7628AA [0,1,0,0,0,0|2,0,0]=3 49 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.113 CC1=CC=CC(C(N)=S)=N1 7874AF [0,1,0,0,0,0|2,1,0]=4 52 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 7862AF [0,1,0,0,0,0|2,0,1]=4 53 B10R1.113 NC(=O)C1=NC(F)=CN=C1 1523AE [0,1,0,0,0,0|1,0,0]=2 54 B10R1.113 NC(=O)C1=NC=C[N+]([O-])=C1 1978AC [0,1,0,0,0,0|1,0,1]=3 55 B10R1.113 O=C(O)C1=CC(I)=CC=N1 6714AC [0,1,0,0,0,0|2,0,0]=3 56 B10R1.113 O=[N+]([O-])C1=CN=CC(Cl)=C1 W4604 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.113 O=[N+]([O-])C1=NC=CC(O)=C1 0431AA [0,1,0,0,0,0|3,0,0]=4 58 B8R1.7 CC(=O)C1=CC=NN1 9154AA [0,0,0,0,1,0|1,0,0]=2 59 B8R1.7 CC(N)C1=CN=CN1 9441AH [0,0,0,0,1,0|1,0,2]=4 60 B8R1.7 CC(N)C1=NNC=C1 Y5743 [0,0,0,0,1,0|2,0,1]=4 61 B8R1.7 CC(O)C1=CC=CS1 2224AC [0,0,0,0,1,0|1,0,2]=4 62 B8R1.7 N=C(N)C1=NC=CS1 W4425 [0,0,0,0,1,0|3,0,0]=4 63 B8R1.7 O=C(O)C1=NN=CO1 6208AC [0,0,0,0,1,0|3,0,0]=4 64 B8R1.7 O=[N+]([O-])C1=CC=CO1 9109AB [0,0,0,0,1,0|3,0,0]=4 65 B10R1.18 CC(=O)CC1=NC=CC=N1 1768AC [0,0,0,0,0,1|2,0,0]=3 66 B7R1.3 ClC1=NC=CC=C1 7352AF [2,0,0,0,0,0|2,0,0]=4 67 B7R1.3 FC1=NC=CC=C1 7353AF [2,0,0,0,0,0|2,0,0]=4 68 B7R1.3 O=C1CC=CN=N1 Y4431 [2,0,0,0,0,0|2,0,0]=4 69 B7R1.3 O=C1N=CC=CN1 9421AJ [2,0,0,0,0,0|2,0,0]=4 70 B9R1.1 C=CC1=NC=C(C)N=C1 6751AA [1,1,0,0,0,0|0,0,1]=3 71 B9R1.1 CCC1=CN=C(C)C=C1 6769AL [1,1,0,0,0,0|1,0,1]=4 72 B9R1.1 COC1=NC=C(C)N=C1 2866AB [1,1,0,0,0,0|1,0,0]=3 73 B9R1.1 CSC1=CN=C(F)C=C1 Y3574 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.1 CSC1=NC=C(C)N=C1 2880AB [1,1,0,0,0,0|1,0,0]=3 75 B9R1.2 C=CC1=CN=CC(C)=C1 2455AL [1,1,0,0,0,0|1,0,1]=4 76 B9R1.2 CC1=NN=CC(C=O)=N1 2328AJ [1,1,0,0,0,0|1,0,0]=3 77 B9R1.2 CCC1=NC(C)=CN=C1 R550 [1,1,0,0,0,0|0,0,1]=3 78 B9R1.2 CNC1=NC=CC(I)=C1 Z1369 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.2 CSC1=NC(C)=CN=N1 9184AD [1,1,0,0,0,0|2,0,0]=4 80 B9R1.2 NC1=CC(C=O)=CC=C1 8788AA [1,1,0,0,0,0|2,0,0]=4 81 B9R1.2 NC1=NC=CC(C=O)=N1 8419AA [1,1,0,0,0,0|2,0,0]=4 82 B9R1.8 CCCC1=CN=CC=C1 6392AB [1,1,0,0,0,0|1,0,1]=4 83 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.15 CCC1=C(C)C=CN=C1 R348 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.15 CCC1=CC=CN=C1C X8230 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.15 CNC1=NC=CC=C1I Y3706 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.15 CSC1=C(Br)C=CN=C1 Z1487 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.15 CSC1=CC=CN=C1Cl Z0760 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.11 COC(=O)C1=CON=C1 4175AJ [0,1,0,0,1,0|1,0,0]=3 90 B9R1.11 C\C(=N/O)C1=CC=CO1 4345AE [0,1,0,0,1,0|1,0,1]=4 91 B9R1.11 C\C(=N/O)C1=CC=CO1 4346AE [0,1,0,0,1,0|1,0,1]=4 92 B9R1.11 C\C(=N/O)C1=CC=CS1 6597AD [0,1,0,0,1,0|1,0,1]=4 93 B9R1.11 NNC(=O)C1=NC=CO1 7606AH [0,1,0,0,1,0|2,0,0]=4 94 B9R1.19 CS(=N)(=O)C1=NC=CS1 9063AJ [0,1,0,0,1,0|2,0,0]=4 95 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [0,1,0,0,1,0|1,0,0]=3 96 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.35 CC1=CSC(C(=O)Cl)=C1 Y2029 [0,1,0,0,1,0|2,0,0]=4 98 B9R1.35 CC1=NNC(C(N)=O)=C1 4470AD [0,1,0,0,1,0|2,0,0]=4 99 B9R1.35 NC(=O)C1=NC=C(Br)S1 6538AC [0,1,0,0,1,0|2,0,0]=4 100 B9R1.35 O=C(O)C1=CN=C(Br)O1 X9980 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.41 CC(=O)C1=C(Cl)C=CS1 4837AC [0,1,0,0,1,0|1,0,0]=3 102 B9R1.41 CC(=O)C1=CNN=C1C X5410 [0,1,0,0,1,0|1,0,0]=3 103 B9R1.41 NC1=C(C(=O)O)C=CS1 W7009 [0,1,0,0,1,0|2,0,0]=4 104 B9R1.41 O=C(O)C1=C(F)SC=C1 1036AC [0,1,0,0,1,0|2,0,0]=4 105 B9R1.41 O=C(O)C1=CSN=C1Cl 5806AC [0,1,0,0,1,0|2,0,0]=4 106 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 7899AF [0,1,0,0,0,1|2,0,0]=4 107 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 Y8709 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.36 O=C(O)C(Br)C1=CC=CN=C1 0971AD [0,1,0,0,0,1|2,0,0]=4 109 B11R1.86 O=C(O)CC1=NC=CC=C1Cl Z5258 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 5257AB [0,1,0,0,0,1|2,0,0]=4 111 B11R1.19 CC(C)(C)C1=CN=C(N)C=N1 Y1707 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.21 CC1=CC(C(=O)O)=CN=C1C 3056AJ [0,2,0,0,0,0|2,0,0]=4 113 B11R1.21 NC(=O)C1=CC(Br)=C(N)N=C1 9821AC [0,2,0,0,0,0|2,0,0]=4 114 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [0,2,0,0,0,0|2,0,0]=4 115 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [0,2,0,0,0,0|2,0,0]=4 116 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 1452AJ [0,2,0,0,0,0|2,0,0]=4 117 B11R1.222 O=C(CBr)C1=NC=CC=C1F 1583AJ [0,2,0,0,0,0|1,0,0]=3 118 B11R1.155 CS(=O)(=O)C1=NC=CC(N)=C1 X3608 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.53 CSC1=NC=CC=C1C(=O)O Y9981 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.53 O=C(O)C1=C(CO)C=CN=C1 Y9926 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.156 CC1=C(C(=O)O)C(N)=NC=C1 4903AB [0,2,0,0,0,0|2,0,0]=4 122 B11R1.156 CC1=NC=CC(C)=C1C(N)=O 1274AC [0,2,0,0,0,0|2,0,0]=4 123 B11R1.156 O=C(O)C1=C(O)N=CC=C1O X5042 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.167 CC(=O)C1=CC(C)=CN=C1F Y3976 [0,2,0,0,0,0|1,0,0]=3 125 B11R1.167 CC(=O)C1=NC(C)=CN=C1C 7816AB [0,2,0,0,0,0|0,0,0]=2 126 B11R1.167 CC(=O)C1=NC(Cl)=NC=C1C W9899 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.167 O=C(Cl)C1=CC(Cl)=CN=C1Cl 9755AE [0,2,0,0,0,0|2,0,0]=4 128 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=N1 9628AJ [0,2,0,0,0,0|2,0,0]=4 129 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 8131AA [0,2,0,0,0,0|2,0,0]=4 130 B11R2.10 CC1=CC2=C(C=CN=C2)N1 X9076 [0,0,0,1,0,1|2,0,0]=4 131 B11R2.10 CC1=CC2=C(C=NC=C2)S1 Y6380 [0,0,0,1,0,1|2,0,0]=4 132 B11R2.10 CC1=NC2=C(C=NC=C2)N1 1790AJ [0,0,0,1,0,1|2,0,0]=4 133 B11R2.1 CC1=NOC2=C1C=CC=N2 8579AB [0,1,0,1,0,0|1,0,1]=4 134 B7R1.1 C=CC1=NC=CN1 5965AB [1,0,0,0,1,0|0,0,2]=4 135 B7R1.1 CNC1=CC=CS1 1494AC [1,0,0,0,1,0|2,0,0]=4 136 B7R1.1 COC1=CC=CN1 Y1596 [1,0,0,0,1,0|1,0,1]=4 137 B7R1.1 COC1=COC=C1 W1886 [1,0,0,0,1,0|2,0,0]=4 138 B7R1.1 COC1=NSC=C1 Z1859 [1,0,0,0,1,0|2,0,0]=4 139 B7R1.1 O=CC1=CC=NO1 8334AA [1,0,0,0,1,0|1,0,0]=3