0 B13R2.328 CC1=NC(=O)C2=C(C=CC=N2)N1 3760AB [0,0,0,0,0,0|3,0,1]=4 1 B13R2.328 CC1=NC(=O)C2=C(N=CC=C2)N1 9101AD [0,0,0,0,0,0|3,0,1]=4 2 B13R2.328 CC1=NC(Cl)=C2C=CC=CC2=C1 9786AH [0,0,0,0,0,0|3,0,0]=3 3 B13R2.328 CC1=NC(N)=NC2=C1C=CC=C2 9205AB [0,0,0,0,0,0|1,0,0]=1 4 B13R2.328 CC1=NC2=C(C=CN=C2)C(Cl)=C1 2762AJ [0,0,0,0,0,0|4,0,0]=4 5 B13R2.328 CC1=NC2=C(C=NC=C2)C(=O)N1 8689AA [0,0,0,0,0,0|3,0,1]=4 6 B13R2.328 CC1=NC2=CC=CC=C2C(I)=C1 2842AJ [0,0,0,0,0,0|3,0,0]=3 7 B13R2.328 ClC1=C2C=CC=CC2=NC(Br)=C1 Y9716 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.328 ClC1=NC2=NC=CN=C2C(Cl)=N1 6861AC [0,0,0,0,0,0|4,0,0]=4 9 B13R2.328 NC1=CC(Cl)=CC2=C1C=CN=C2 9100AB [0,0,0,0,0,0|4,0,0]=4 10 B13R2.328 NC1=CC2=C(N=CC=C2)C(Cl)=C1 6911AB [0,0,0,0,0,0|4,0,0]=4 11 B13R2.328 NC1=NC2=CC=CC=C2C(Cl)=N1 4584AA [0,0,0,0,0,0|1,0,0]=1 12 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 6001AC [0,0,0,0,0,0|3,0,1]=4 13 B13R2.328 OC1=NC(O)=C2C=CC=NC2=C1 3495AA [0,0,0,0,0,0|4,0,0]=4 14 B13R2.328 OC1=NC(O)=C2N=CC=CC2=N1 V5578 [0,0,0,0,0,0|3,0,0]=3 15 B12R2.24 BrC1=CC=C2C=NC=CC2=N1 1593AJ [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 CC1=NC2=CC=CC=C2N=N1 W7502 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.24 IC1=CC=C2C=CC=CC2=N1 0061AC [1,0,0,0,0,0|2,0,0]=3 18 B12R2.24 NC1=CC=C2C=NC=CC2=N1 1539AL [1,0,0,0,0,0|2,0,0]=3 19 B12R2.24 NC1=NC2=C(C=CN=C2)C=C1 7985AB [1,0,0,0,0,0|2,0,0]=3 20 B12R2.24 NC1=NC2=NC=CC=C2C=N1 4079AC [1,0,0,0,0,0|1,0,0]=2 21 B12R2.24 SC1=NC2=NC=CN=C2C=N1 5426AD [1,0,0,0,0,0|3,0,0]=4 22 B12R2.1081 BrC1=NC=CC2=CC=NC=C21 3492AC [1,0,0,0,0,0|3,0,0]=4 23 B12R2.1081 C[N+]1=CC=NC2=CC=CC=C21 6977AD [1,0,0,0,0,0|3,0,0]=4 24 B12R2.1081 ClC1=C2C=NC=CC2=CC=N1 W7893 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.1081 ClC1=C2N=CC=NC2=NC=N1 1277AC [1,0,0,0,0,0|3,0,0]=4 26 B12R2.1081 ClC1=CC=NC2=C1C=CN=C2 8267AA [1,0,0,0,0,0|3,0,0]=4 27 B12R2.1081 ClC1=NC=CC2=C1C=CN=C2 Y1536 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.1081 FC1=C2C=CC=CC2=NC=N1 Y9491 [1,0,0,0,0,0|1,0,0]=2 29 B12R2.1081 IC1=C2C=CC=CC2=CC=N1 Y5331 [1,0,0,0,0,0|2,0,0]=3 30 B14R2.1019 C=CC1=NC2=C(C=CC=C2)C(O)=N1 5436AC [0,1,0,0,0,0|2,0,0]=3 31 B14R2.1019 COC1=NC2=CC=CC=C2C(=O)N1 0338AA [0,1,0,0,0,0|2,0,1]=4 32 B14R2.1146 NNC1=C2C=CC=CC2=NC(Cl)=N1 Y6450 [0,1,0,0,0,0|1,0,0]=2 33 B14R2.7724 CC1=CC(N)=C2C=CC=CC2=C1O 5858AF [0,1,0,0,0,0|3,0,0]=4 34 B14R2.8045 CC1=C2N=C(Cl)C=C(Cl)C2=CC=C1 1899AL [0,1,0,0,0,0|3,0,0]=4 35 B14R2.8045 CC1=CC=CC2=C(C)C=C(Cl)N=C12 W5952 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.8045 CC1=NC2=C(C=CC=C2O)C(=O)N1 5053AC [0,1,0,0,0,0|2,0,1]=4 37 B14R2.8045 ClC1=CC(Cl)=NC2=C(Br)C=CC=C12 5516AB [0,1,0,0,0,0|3,0,0]=4 38 B14R2.8045 ClC1=NC2=C(I)C=CC=C2C(Cl)=N1 6585AC [0,1,0,0,0,0|2,0,0]=3 39 B14R2.8045 NC1=NC(Cl)=NC2=C1C=CC=C2F 1993AA [0,1,0,0,0,0|1,0,0]=2 40 B14R2.8045 NC1=NC(Cl)=NC2=C1C=CC=C2I 1992AA [0,1,0,0,0,0|1,0,0]=2 41 B14R2.8045 NC1=NC2=C(C=CC=C2F)C(N)=N1 3094AL [0,1,0,0,0,0|0,0,0]=1 42 B14R2.8235 CC1=CC2=C(C=C1)N=C(C)OC2=O 9342AB [0,1,0,0,0,0|3,0,0]=4 43 B14R2.8235 CC1=NC(Cl)=NC2=CC=C(Br)C=C21 9201AA [0,1,0,0,0,0|2,0,0]=3 44 B14R2.8235 CC1=NC2=C(C=C(N)C=C2)C(N)=C1 7869AB [0,1,0,0,0,0|2,0,0]=3 45 B14R2.8235 NC1=C2C=C(F)C=CC2=NC(Cl)=N1 X6406 [0,1,0,0,0,0|1,0,0]=2 46 B14R2.8235 NC1=NC(=O)C2=NC(Cl)=CC=C2N1 4875AC [0,1,0,0,0,0|2,0,1]=4 47 B14R2.8235 NC1=NC2=C(C=C(Cl)C=C2)[N+]([O-])=N1 9756AA [0,1,0,0,0,0|2,0,0]=3 48 B14R2.8235 NC1=NC2=C(C=C(F)C=C2)C(N)=N1 3360AA [0,1,0,0,0,0|0,0,0]=1 49 B14R2.8235 NC1=NC2=CC=C(Br)C=C2C(Cl)=N1 5007AA [0,1,0,0,0,0|1,0,0]=2 50 B14R2.8235 NC1=NC2=CC=C(I)C=C2C(N)=N1 5936AA [0,1,0,0,0,0|0,0,0]=1 51 B14R2.8235 O=C1NC(Cl)=NC2=C1C=C(Cl)C=C2 W4267 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.28480 NC1=C2C(I)=CC=CC2=NC(Cl)=N1 X8959 [0,1,0,0,0,0|1,0,0]=2 53 B14R2.28480 OC1=C2C(Cl)=CC=CC2=NC(Cl)=N1 X8958 [0,1,0,0,0,0|2,0,0]=3 54 B14R2.29365 NC1=C2C=CC(F)=CC2=NC(Cl)=N1 X6509 [0,1,0,0,0,0|1,0,0]=2 55 B14R2.29365 NC1=NC(Cl)=NC2=C1C=CC(Cl)=C2 2053AA [0,1,0,0,0,0|1,0,0]=2 56 B14R2.29365 NC1=NC2=C(C=CC(Br)=C2)C(=O)N1 4240AC [0,1,0,0,0,0|1,0,1]=3 57 B14R2.29365 O=C1NC(Cl)=NC2=C1C=CC(F)=C2 X6510 [0,1,0,0,0,0|2,0,1]=4 58 B14R2.29365 O=C1NC(Cl)=NC2=CC(I)=CC=C12 1558AC [0,1,0,0,0,0|2,0,1]=4 59 B12R1.75 COC1=C(NC(=N)N)C=CC=C1 4356AJ [0,0,1,0,0,0|2,0,1]=4 60 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 9912AH [0,0,0,0,1,0|3,0,0]=4 61 B12R2.18 NC1=C(Cl)SC2=C1N=CC=C2 2391AB [0,0,0,0,1,0|3,0,0]=4 62 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N 1058AB [0,0,0,0,1,0|1,0,2]=4 63 B12R2.246 CC1=CC(N)=C2C=CNC2=N1 X8459 [0,0,0,0,1,0|3,0,0]=4 64 B12R2.246 CC1=CC(N)=C2C=CSC2=N1 3611AJ [0,0,0,0,1,0|3,0,0]=4 65 B12R2.246 CC1=NN2C=CC=C2C(Cl)=N1 2765AJ [0,0,0,0,1,0|3,0,0]=4 66 B12R2.246 ClC1=NC(Cl)=C2C=COC2=N1 0073AA [0,0,0,0,1,0|3,0,0]=4 67 B12R2.246 NC1=C2C=CNC2=NC(Br)=C1 7062AC [0,0,0,0,1,0|3,0,0]=4 68 B12R2.246 NC1=C2NC=CC2=NC(Cl)=C1 0074AA [0,0,0,0,1,0|3,0,0]=4 69 B12R2.246 NC1=NC2=C(C=CN2)C(I)=C1 3215AA [0,0,0,0,1,0|3,0,0]=4 70 B12R2.246 NC1=NC2=C(C=CN2)C(N)=N1 X7284 [0,0,0,0,1,0|1,0,0]=2 71 B12R2.246 NC1=NC2=C(NC=N2)C(Br)=N1 2755AC [0,0,0,0,1,0|3,0,0]=4 72 B12R2.246 OC1=NC(O)=C2OC=CC2=N1 W9756 [0,0,0,0,1,0|3,0,0]=4 73 B12R2.2028 CN1N=C(Br)C2=CC=CC=C21 V2198 [0,0,0,0,1,0|3,0,0]=4 74 B12R2.2028 NC1CC(=O)C2=CC=CC=C21 4741AD [0,0,0,0,1,0|2,0,1]=4 75 B11R1.53 N#CC1=CC=CC=C1C(=N)N 5531AJ [1,0,1,0,0,0|0,0,2]=4 76 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 0662AD [1,0,1,0,0,0|1,0,1]=4 77 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 1236AJ [1,0,1,0,0,0|1,0,1]=4 78 B11R2.20 C1=CC2=C(C=N1)C=NC=C2 2043AB [2,0,0,0,0,0|2,0,0]=4 79 B11R2.20 C1=CN=C2N=CN=CC2=N1 2919AF [2,0,0,0,0,0|2,0,0]=4 80 B13R2.57 BrCC1=CC2=CC=CC=C2C=N1 Y9436 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.57 C#CC1=CC2=CC=CC=C2C=N1 Y5592 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.57 NCC1=NC2=C(C=CC=C2)N=C1 5250AJ [1,1,0,0,0,0|2,0,0]=4 83 B13R2.57 NCC1=NC2=C(C=CC=N2)C=C1 4175AC [1,1,0,0,0,0|2,0,0]=4 84 B13R2.155 CC1=CC=C2C=NC(N)=CC2=C1 3301AA [1,1,0,0,0,0|1,0,0]=3 85 B13R2.155 CC1=NC2=C(C=C1)C=CC(N)=N2 4934AD [1,1,0,0,0,0|2,0,0]=4 86 B13R2.155 CC1=NC2=C(C=CC(N)=C2)C=C1 9854AB [1,1,0,0,0,0|2,0,0]=4 87 B13R2.155 FC1=CC2=NC(Cl)=NC=C2C=C1 X7067 [1,1,0,0,0,0|1,0,0]=3 88 B13R2.155 O=C1N=CC2=CC=C(Br)C=C2N1 6402AC [1,1,0,0,0,0|1,0,1]=4 89 B13R2.162 BrC1=CC=C2C=CC=C(Br)C2=N1 Z5228 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.162 CC1=CC=CC2=CN=C(Cl)N=C12 X5127 [1,1,0,0,0,0|1,0,0]=3 91 B13R2.162 NC1=C2N=C(Cl)C=CC2=CC=C1 2067AL [1,1,0,0,0,0|2,0,0]=4 92 B13R2.369 CC1=C(C)N=C2C=CC=CC2=C1 8854AA [1,1,0,0,0,0|2,0,0]=4 93 B13R2.369 CC1=CC2=CC=CC=C2N=C1N 2809AA [1,1,0,0,0,0|1,0,0]=3 94 B13R2.369 NC1=NC2=C(C=CC=C2)C=C1Cl 6755AB [1,1,0,0,0,0|1,0,0]=3 95 B13R2.369 NC1=NC2=CC=CC=C2NC1=O 2364AL [1,1,0,0,0,0|2,0,0]=4 96 B13R2.3683 BrC1=CC=C2N=C(Br)C=CC2=C1 X3758 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.3683 BrC1=CC=C2N=C(I)N=CC2=C1 4077AC [1,1,0,0,0,0|1,0,0]=3 98 B13R2.3683 CC1=CC2=CC=C(O)C=C2C=N1 W7543 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.3683 NC1=CC2=CC=C(Cl)N=C2C=C1 Z4468 [1,1,0,0,0,0|2,0,0]=4 100 B13R2.3683 NC1=NC2=C(C=C(Br)C=C2)N=N1 6827AB [1,1,0,0,0,0|1,0,0]=3 101 B13R2.3683 NC1=NC2=CC=C(O)C=C2N=N1 3972AC [1,1,0,0,0,0|1,0,0]=3 102 B13R2.5179 CC1=NC2=CC=CC(C)=C2C=C1 2276AB [1,1,0,0,0,0|2,0,0]=4 103 B13R2.5179 NC1=NC2=C(C=N1)C(Cl)=CC=C2 9904AA [1,1,0,0,0,0|0,0,0]=2 104 B13R2.5179 NC1=NC2=CC=CC(Br)=C2C=C1 3166AJ [1,1,0,0,0,0|1,0,0]=3 105 B13R2.342 CC1=C2C=CC=C(Br)C2=NC=C1 X6417 [1,1,0,0,0,0|2,0,0]=4 106 B13R2.342 NC1=C2C=CN=C(I)C2=CC=C1 4969AA [1,1,0,0,0,0|2,0,0]=4 107 B13R2.371 NC1=CC=C(N)C2=CC=CC=C12 0979AQ [1,1,0,0,0,0|2,0,0]=4 108 B13R2.371 OC1=CN=C(Cl)C2=CC=CC=C12 3880AB [1,1,0,0,0,0|2,0,0]=4 109 B13R2.1613 BrCC1=C2C=CC=CC2=NC=C1 8238AB [1,1,0,0,0,0|2,0,0]=4 110 B13R2.1613 BrCC1=CC=NC2=CC=CC=C12 1467AC [1,1,0,0,0,0|2,0,0]=4 111 B13R2.1613 CNC1=C2C=CC=CC2=NC=C1 X5089 [1,1,0,0,0,0|1,0,0]=3 112 B13R2.1613 ClCC1=NC=CC2=CC=CC=C21 2568AB [1,1,0,0,0,0|2,0,0]=4 113 B13R2.1613 N#CC1=NC=NC2=CC=CC=C21 1607AE [1,1,0,0,0,0|0,0,1]=3 114 B13R2.1613 NNC1=C2C=CC=CC2=CN=N1 8816AB [1,1,0,0,0,0|2,0,0]=4 115 B13R2.1613 OCC1=CC=NC2=CC=CC=C12 9497AB [1,1,0,0,0,0|2,0,0]=4 116 B13R2.4818 CC1=C2C(Br)=CC=CC2=NC=C1 0810AC [1,1,0,0,0,0|2,0,0]=4 117 B13R2.4818 CC1=CC=CC2=NC=CC(Cl)=C12 2778AJ [1,1,0,0,0,0|2,0,0]=4 118 B13R2.4818 FC1=CC=CC2=NC=NC(Cl)=C12 7411AB [1,1,0,0,0,0|1,0,0]=3 119 B13R2.4818 NC1=C2C(Br)=CC=CC2=NC=N1 X9410 [1,1,0,0,0,0|0,0,0]=2 120 B13R2.4818 NC1=C2C(Cl)=CC=CC2=NC=C1 5605AC [1,1,0,0,0,0|1,0,0]=3 121 B13R2.4818 OC1=C2C(F)=CC=CC2=NC=C1 2207AE [1,1,0,0,0,0|2,0,0]=4 122 B13R2.4818 OC1=CC=CC2=NC=CC(O)=C12 2595AC [1,1,0,0,0,0|2,0,0]=4 123 B13R2.45 CN1C2=CC=CC=C2N=C1CN Y8152 [0,1,0,0,1,0|2,0,0]=4 124 B13R2.3028 CC1=CC2=C(C=C1)N=C(N)N2C 5026AJ [0,1,0,0,1,0|2,0,0]=4 125 B13R2.4825 CN1C(N)=NC2=C1C=CC=C2F 6158AJ [0,1,0,0,1,0|2,0,0]=4 126 B13R2.5190 CN1C2=CC=C(F)C=C2N=C1N 6360AJ [0,1,0,0,1,0|2,0,0]=4 127 B13R2.3742 CN1C=CC2=C(Cl)N=C(N)N=C21 Y6471 [0,1,0,0,1,0|2,0,0]=4 128 B13R2.3742 CN1N=CC2=C(N)N=C(N)N=C21 Y6994 [0,1,0,0,1,0|2,0,0]=4 129 B13R2.2931 CCN1N=C(N)C2=CC=CC=C21 3449AF [0,1,0,0,1,0|2,0,0]=4 130 B15R2.886 NCCC1=NC(=O)C2=CC=CC=C2N1 6038AB [0,2,0,0,0,0|1,0,1]=4 131 B15R2.886 NCCC1=NC2=CC=CC=C2C(=O)N1 0321AD [0,2,0,0,0,0|1,0,1]=4 132 B15R2.2713 ClCC1=NC2=CC=C(Cl)C=C2C(Cl)=N1 6650AE [0,2,0,0,0,0|2,0,0]=4 133 B15R2.2713 N#CC1=NC2=CC=C(Br)C=C2C(Cl)=N1 4975AA [0,2,0,0,0,0|1,0,1]=4 134 B15R2.988 NC1=NC2=C(C=CC=C2)C(C(=O)O)=C1 4971AD [0,2,0,0,0,0|2,0,0]=4 135 B15R2.988 NC1=NC2=C(C=CC=C2)C(C(=O)O)=N1 0131AA [0,2,0,0,0,0|1,0,0]=3 136 B15R2.20937 COC1=CC=CC2=C(N)N=C(Cl)N=C12 W7402 [0,2,0,0,0,0|1,0,0]=3 137 B15R2.59732 ClC1=CC2=C(N=C(Cl)N=C2Cl)C(Cl)=C1 5279AE [0,2,0,0,0,0|2,0,0]=4 138 B15R2.59733 FC1=C(F)C=C2C(=C1)N=C(Cl)N=C2Cl 2129AC [0,2,0,0,0,0|2,0,0]=4 139 B15R2.89396 N#CC1=CC2=NC(Cl)=NC(Cl)=C2C=C1 3534AC [0,2,0,0,0,0|2,0,0]=4 140 B13R2.10 BrC1=NNC(C2=CC=CC=N2)=N1 7469AD [0,0,1,1,0,0|2,0,0]=4 141 B13R2.10 BrC1=NSC(C2=CC=CC=C2)=N1 Y6797 [0,0,1,1,0,0|2,0,0]=4 142 B13R2.10 S=C1N=C(C2=CN=CC=C2)NN1 0875AQ [0,0,1,1,0,0|2,0,0]=4 143 B13R2.5569 NC(=O)C1=CC=CC2=C1N=CO2 6548AC [0,0,1,1,0,0|2,0,0]=4 144 B13R2.5569 NC(=O)C1=CC=NC2=C1N=CN2 2267AC [0,0,1,1,0,0|2,0,0]=4 145 B11R2.1 CC1=NC=C2C=CC=CN21 0057AC [1,0,0,0,1,0|2,0,0]=4 146 B11R2.1 NC1=C2C=CC=CC2=NO1 0380AB [1,0,0,0,1,0|2,0,0]=4 147 B11R2.1 NC1=NN=C2C=CC=CN12 1963AC [1,0,0,0,1,0|2,0,0]=4 148 B11R2.1 O=C1N=NC2=CC=CC=C12 8326AB [1,0,0,0,1,0|2,0,0]=4 149 B11R2.10 CC1=NN2C=CC=CC2=N1 1970AC [1,0,0,0,1,0|2,0,0]=4 150 B11R2.10 ClC1=CN2C=CC=CC2=N1 5283AB [1,0,0,0,1,0|2,0,0]=4 151 B11R2.10 FC1=NC2=CC=CC=C2S1 Y7071 [1,0,0,0,1,0|2,0,0]=4 152 B11R2.10 IC1=CC2=C(C=CC=C2)S1 7957AJ [1,0,0,0,1,0|2,0,0]=4 153 B11R2.10 IC1=NC2=C(C=CC=C2)N1 1741AJ [1,0,0,0,1,0|1,0,1]=4 154 B11R2.10 NC1=CC2=C(C=CC=C2)N1 X2016 [1,0,0,0,1,0|0,0,1]=3 155 B11R2.10 NC1=CN2C=CC=CC2=N1 4143AJ [1,0,0,0,1,0|1,0,0]=3 156 B11R2.10 NC1=CN2C=CC=CC2=N1 Y8986 [1,0,0,0,1,0|1,0,0]=3 157 B11R2.10 NC1=NC2=C(C=CC=N2)S1 6382AA [1,0,0,0,1,0|2,0,0]=4 158 B11R2.10 NC1=NC2=C(C=NC=C2)O1 5017AA [1,0,0,0,1,0|2,0,0]=4 159 B11R2.10 NC1=NC2=CN=CC=C2N1 0486AC [1,0,0,0,1,0|1,0,1]=4 160 B11R2.10 NC1=NC2=CN=CC=C2S1 4884AC [1,0,0,0,1,0|2,0,0]=4 161 B11R2.10 OC1=NN2C=CC=CC2=C1 Y1674 [1,0,0,0,1,0|2,0,0]=4 162 B11R2.36 NC1=NC=C2C=CNC2=C1 0046AA [1,0,0,0,1,0|2,0,0]=4 163 B11R2.106 BrC1=NC=NC2=C1NC=C2 Y6672 [1,0,0,0,1,0|2,0,0]=4 164 B11R2.106 BrC1=NC=NN2C=CC=C12 Y6652 [1,0,0,0,1,0|2,0,0]=4 165 B11R2.106 NC1=C2C=CNC2=NC=C1 Z4128 [1,0,0,0,1,0|2,0,0]=4 166 B11R2.106 NC1=CC=NC2=C1C=CN2 X0248 [1,0,0,0,1,0|2,0,0]=4 167 B11R2.106 NC1=NC=NC2=C1C=CO2 W4025 [1,0,0,0,1,0|1,0,0]=3