0 B12R2.18 CC1=C(Br)C2=CC=CN=C2N1 3231AH [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 CC1=NC2=CC=CC=C2N1C V4924 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 1660AL [0,0,0,0,0,0|3,0,0]=3 3 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 9916AH [0,0,0,0,0,0|4,0,0]=4 4 B12R2.18 CN1C(O)=CC2=CC=CC=C21 2768AF [0,0,0,0,0,0|3,0,1]=4 5 B12R2.18 CN1C2=CC=CC=C2N=C1Cl V3951 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.18 NC1C(=O)NC2=CC=CC=C21 9792AC [0,0,0,0,0,0|3,0,0]=3 7 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O 8216AA [0,0,0,0,0,0|3,0,1]=4 8 B11R2.1 BrC1=CNC2=C1C=NC=N2 W3850 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 BrC1=CSC2=NC=CC=C12 Z4557 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.1 CC1=CNC2=C1C=CC=N2 W7016 [1,0,0,0,0,0|2,0,0]=3 11 B11R2.1 CC1=NNC2=NC=CC=C12 X9179 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 IC1=CNC2=C1C=NC=N2 W3851 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 NC1=CNC2=C1C=CC=N2 X8537 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.1 NN1C=CC2=C1C=CC=C2 Z4839 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 NN1C=NC2=CC=CC=C21 0699AQ [1,0,0,0,0,0|2,0,1]=4 16 B11R2.10 BrC1=NC2=CC=CN=C2S1 W6173 [1,0,0,0,0,0|2,0,1]=4 17 B11R2.10 CC1=NC2=CC=CN=C2N1 V7266 [1,0,0,0,0,0|1,0,1]=3 18 B11R2.10 CC1=NC2=NC=CC=C2O1 W8875 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.10 ClC1=NC2=CC=CN=C2S1 Z5341 [1,0,0,0,0,0|2,0,1]=4 20 B11R2.10 ClC1=NC2=NC=CC=C2S1 W3319 [1,0,0,0,0,0|2,0,1]=4 21 B11R2.10 O=C1CC2=C(C=CC=N2)N1 3636AB [1,0,0,0,0,0|1,0,0]=2 22 B11R2.10 O=C1CC2=CC=CN=C2N1 W7017 [1,0,0,0,0,0|1,0,0]=2 23 B11R2.10 O=C1CC2=CN=CC=C2N1 6234AA [1,0,0,0,0,0|3,0,0]=4 24 B11R2.10 O=C1NC2=CC=CN=C2N1 W3559 [1,0,0,0,0,0|0,0,0]=1 25 B11R2.10 S=C1NC2=C(N=CC=C2)N1 2997AB [1,0,0,0,0,0|0,1,0]=2 26 B11R2.10 S=C1NC2=C(N=CC=C2)O1 8657AA [1,0,0,0,0,0|1,1,0]=3 27 B11R2.10 SC1=NC2=CC=CN=C2S1 V6699 [1,0,0,0,0,0|1,1,1]=4 28 B11R2.10 SC1=NC2=NC=CC=C2O1 Z4832 [1,0,0,0,0,0|1,1,1]=4 29 B11R2.10 SC1=NC2=NC=CC=C2S1 V9923 [1,0,0,0,0,0|1,1,1]=4 30 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 Y8526 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 Z6277 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.359 CC1(C)C(=O)NC2=C1C=CC=C2 W4107 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.3028 CC1C(=O)NC2=CC=C(Br)C=C21 5108AC [0,1,0,0,0,0|3,0,0]=4 34 B13R2.3028 O=C1NC2=NC=C(Br)C=C2C1=O Z4188 [0,1,0,0,0,0|1,0,1]=3 35 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 6972AD [0,1,0,0,0,0|2,0,1]=4 36 B13R2.3085 CN1C(=O)N(C)C2=CC=CC=C21 Y8666 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.3085 NC1C(=O)N(C)C2=CC=CC=C21 9963AL [0,1,0,0,0,0|3,0,0]=4 38 B13R2.5190 CN1C(=O)OC2=C1C=CC(Br)=C2 8001AE [0,1,0,0,0,0|3,0,0]=4 39 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 0850AC [0,0,1,0,0,0|3,0,0]=4 40 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 3705AE [0,0,1,0,0,0|2,0,0]=3 41 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 7117AH [0,0,1,0,0,0|3,0,0]=4 42 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 5421AJ [0,0,1,0,0,0|3,0,0]=4 43 B11R1.40 C=CC(=O)NC1=CC=CC=C1 1202AB [0,0,1,0,0,0|3,0,0]=4 44 B11R1.40 CNC(=O)CC1=CC=CC=C1 8080AE [0,0,1,0,0,0|3,0,0]=4 45 B11R1.40 NNC(=O)NC1=CC=CC=C1 5322AE [0,0,1,0,0,0|2,0,0]=3 46 B11R1.40 O=C(CBr)NC1=CC=CC=C1 7553AB [0,0,1,0,0,0|3,0,0]=4 47 B11R1.40 O=C(CCl)NC1=CC=CC=C1 V6785 [0,0,1,0,0,0|3,0,0]=4 48 B11R1.40 O=C(CCl)NC1=NC=CC=C1 7349AB [0,0,1,0,0,0|2,0,0]=3 49 B11R1.40 O=C(CCl)NC1=NC=CC=N1 4966AE [0,0,1,0,0,0|3,0,0]=4 50 B11R1.222 CC1=CC=CC=C1N(C)C=O 8371AL [0,0,1,0,0,0|3,0,0]=4 51 B13R2.328 CN1CC(=O)NC2=CC=CC=C21 0305AC [0,0,0,0,0,1|2,0,0]=3 52 B13R2.328 NC1=NC(O)=C2NC=CN=C2N1 S605 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.328 O=C1NC2=NC=CC=C2C(=O)O1 0754AB [0,0,0,0,0,1|1,0,1]=3 54 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O V5300 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.15 NCC(O)C1=CC=CN=C1 5727AC [1,0,1,0,0,0|1,0,1]=4 56 B10R1.18 CC(=O)CC1=NC=CC=C1 W7508 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.18 CC(=O)NC1=CN=CC=C1 6108AE [1,0,1,0,0,0|1,0,0]=3 58 B10R1.18 CC(=O)NC1=NC=CC=C1 Y5038 [1,0,1,0,0,0|1,0,0]=3 59 B10R1.18 NC(=O)CC1=CC=CN=C1 4754AB [1,0,1,0,0,0|1,0,0]=3 60 B10R1.18 NC(=O)CC1=NC=CC=N1 Z3997 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.18 NC(=O)OC1=CC=CC=C1 7861AF [1,0,1,0,0,0|2,0,0]=4 62 B10R1.4 CC1=C(NC=O)C=CC=C1 5730AL [1,0,1,0,0,0|2,0,0]=4 63 B10R1.20 CNC1=NC=CC=C1CO W5421 [1,0,1,0,0,0|1,0,1]=4 64 B10R1.20 COC1=CC=CN=C1C=O V3952 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.61 CC1=C(C(=O)O)C=CC=N1 1002AB [1,0,1,0,0,0|2,0,0]=4 66 B10R1.61 NC(=O)C1=CC=CN=C1N Y7441 [1,0,1,0,0,0|2,0,0]=4 67 B10R1.61 NC1=C(C(=O)O)C=NC=N1 W4353 [1,0,1,0,0,0|2,0,0]=4 68 B10R1.61 NC1=NN=CC=C1C(=O)O W4411 [1,0,1,0,0,0|2,0,0]=4 69 B10R2.7 C1=CC2=C(N=C1)N=CS2 2600AB [2,0,0,0,0,0|1,0,1]=4 70 B10R2.7 C1=CC2=C(N=C1)NC=N2 8735AA [2,0,0,0,0,0|0,0,1]=3 71 B10R2.7 C1=CC2=C(N=C1)NCC2 X8780 [2,0,0,0,0,0|1,0,1]=4 72 B10R2.7 C1=CN=C2C=COC2=C1 Y8522 [2,0,0,0,0,0|2,0,0]=4 73 B10R2.7 C1=CN=C2C=CSC2=C1 Z4533 [2,0,0,0,0,0|2,0,0]=4 74 B10R2.7 C1=CN=C2C=NNC2=C1 W5033 [2,0,0,0,0,0|2,0,0]=4 75 B10R2.7 C1=CN=C2N=COC2=C1 V4849 [2,0,0,0,0,0|1,0,1]=4 76 B10R2.7 C1=CN=C2SC=CC2=C1 Z4531 [2,0,0,0,0,0|2,0,0]=4 77 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 1832AB [0,1,1,0,0,0|2,0,0]=4 78 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 2922AC [0,1,1,0,0,0|2,0,0]=4 79 B12R1.49 CC1=CN=C(NC(=O)CCl)C=C1 4314AD [0,1,1,0,0,0|2,0,0]=4 80 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=N1 4216AD [0,1,1,0,0,0|2,0,0]=4 81 B12R1.75 CC(=O)NC1=C(CO)C=CC=C1 5403AJ [0,1,1,0,0,0|2,0,0]=4 82 B12R2.1 OCC1=CNC2=C1C=CC=N2 1431AA [1,1,0,0,0,0|1,0,0]=3 83 B12R2.1 OCN1C=NC2=CC=CC=C21 6590AD [1,1,0,0,0,0|1,0,1]=4 84 B12R2.132 CC1=CN=C2NC=C(I)C2=C1 X5592 [1,1,0,0,0,0|2,0,0]=4 85 B12R2.132 CC1=CNC2=NC=C(Br)C=C12 2046AA [1,1,0,0,0,0|2,0,0]=4 86 B12R2.132 ClC1=CC2=C(N=C1)NC=C2I X6194 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.132 ClC1=CN=C2NC=C(Br)C2=C1 Y4381 [1,1,0,0,0,0|2,0,0]=4 88 B12R2.132 ClC1=CNC2=NC=C(Br)C=C12 W9727 [1,1,0,0,0,0|2,0,0]=4 89 B12R2.132 FC1=CC2=C(N=C1)NC=C2Br X6127 [1,1,0,0,0,0|2,0,0]=4 90 B12R2.203 BrC1=CC=NC2=C1C(I)=CN2 X8456 [1,1,0,0,0,0|2,0,0]=4 91 B12R2.203 CC1=CNC2=NC=CC(Cl)=C12 W7883 [1,1,0,0,0,0|2,0,0]=4 92 B12R2.203 ClC1=CC=NC2=C1C(Br)=CN2 X8457 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.203 ClC1=CNC2=NC=CC(Cl)=C12 5172AA [1,1,0,0,0,0|2,0,0]=4 94 B12R2.2028 CN1C=C(Br)C2=CC=CN=C21 Y8545 [1,1,0,0,0,0|2,0,0]=4 95 B12R2.32 O=CC1=CC2=CC=CN=C2N1 Y8980 [1,1,0,0,0,0|1,0,0]=3 96 B12R2.32 O=CC1=CC2=CC=CN=C2S1 Y9351 [1,1,0,0,0,0|2,0,0]=4 97 B12R2.202 CC1=C2NC(=S)NC2=CC=C1 2547AB [1,1,0,0,0,0|1,1,0]=4 98 B12R2.202 CC1=CC2=C(Cl)C=CN=C2N1 3266AB [1,1,0,0,0,0|2,0,0]=4 99 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 2624AC [1,1,0,0,0,0|2,0,0]=4 100 B12R2.202 O=C1CC2=C(Br)C=CN=C2N1 X8887 [1,1,0,0,0,0|1,0,0]=3 101 B12R2.202 O=C1CC2=C(C=CC=C2Cl)N1 W4375 [1,1,0,0,0,0|2,0,0]=4 102 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 W5624 [1,1,0,0,0,0|1,0,0]=3 103 B12R2.202 O=C1CC2=C(N1)C(Cl)=CC=C2 X3054 [1,1,0,0,0,0|2,0,0]=4 104 B12R2.202 O=C1CC2=C(N1)C(F)=CC=C2 X0306 [1,1,0,0,0,0|2,0,0]=4 105 B12R2.202 O=C1CC2=C(N=CN=C2Cl)N1 Y6190 [1,1,0,0,0,0|2,0,0]=4 106 B12R2.202 O=C1NC2=C(F)C=CC=C2S1 9755AB [1,1,0,0,0,0|2,0,0]=4 107 B12R2.202 O=C1NC2=C(S1)C(Cl)=CC=C2 2533AC [1,1,0,0,0,0|2,0,0]=4 108 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 W7006 [1,1,0,0,0,0|2,0,0]=4 109 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 W5647 [1,1,0,0,0,0|2,0,0]=4 110 B12R2.606 CC1=CC2=CC(Br)=CN=C2N1 Z7343 [1,1,0,0,0,0|2,0,0]=4 111 B12R2.606 CC1=CC=C2NC(=O)OC2=C1 7799AD [1,1,0,0,0,0|2,0,0]=4 112 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 V4530 [1,1,0,0,0,0|2,0,0]=4 113 B12R2.606 ClC1=NC2=C(C=C1)NC(Cl)=N2 6041AB [1,1,0,0,0,0|1,0,1]=4 114 B12R2.606 FC1=CC2=C(C=C1)NC(=S)N2 8640AB [1,1,0,0,0,0|1,1,0]=4 115 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 Z4195 [1,1,0,0,0,0|2,0,0]=4 116 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 7323AA [1,1,0,0,0,0|2,0,0]=4 117 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 Y9822 [1,1,0,0,0,0|2,0,0]=4 118 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 W3971 [1,1,0,0,0,0|1,0,0]=3 119 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 Z3954 [1,1,0,0,0,0|1,0,0]=3 120 B12R2.606 O=C1CC2=CC(I)=CC=C2N1 3344AH [1,1,0,0,0,0|2,0,0]=4 121 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 V2411 [1,1,0,0,0,0|1,0,0]=3 122 B12R2.606 O=C1CC2=CN=C(Cl)N=C2N1 X7956 [1,1,0,0,0,0|2,0,0]=4 123 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 0249AB [1,1,0,0,0,0|2,0,0]=4 124 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 9368AB [1,1,0,0,0,0|2,0,0]=4 125 B12R2.606 O=C1NC2=C(C=C(Cl)C=N2)O1 4439AB [1,1,0,0,0,0|1,0,0]=3 126 B12R2.606 O=C1NC2=CC(Br)=CC=C2S1 Z4373 [1,1,0,0,0,0|2,0,0]=4 127 B12R2.606 O=C1NC2=CC(Cl)=CC=C2S1 U770 [1,1,0,0,0,0|2,0,0]=4 128 B12R2.606 O=C1NC2=CC(F)=CC=C2O1 Z9761 [1,1,0,0,0,0|2,0,0]=4 129 B12R2.606 O=C1NC2=CC=C(Br)C=C2N1 W5984 [1,1,0,0,0,0|1,0,0]=3 130 B12R2.606 O=C1NC2=CC=C(Cl)C=C2N1 Z4388 [1,1,0,0,0,0|1,0,0]=3 131 B12R2.606 O=C1NC2=CC=C(F)C=C2N1 W3366 [1,1,0,0,0,0|1,0,0]=3 132 B12R2.606 O=C1NC2=CC=C(F)C=C2S1 Z4983 [1,1,0,0,0,0|2,0,0]=4 133 B12R2.606 S=C1NC2=C(C=C(Cl)C=C2)N1 8455AD [1,1,0,0,0,0|1,1,0]=4 134 B14R2.7724 CN1C(=O)NC(=O)C2=C1C=CC=C2 6531AE [0,1,0,0,0,1|2,0,0]=4 135 B14R2.1146 COC1=CC(=O)NC2=CC=CC=C21 2647AB [0,1,0,0,0,1|2,0,0]=4 136 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)N1 W6890 [0,1,0,0,0,1|2,0,0]=4 137 B14R2.639 CC1(C)OC2=CC=CN=C2NC1=O W4288 [0,1,0,0,0,1|2,0,0]=4 138 B14R2.1128 O=C1NC2=CC=CC=C2C=C1CO 2655AF [0,1,0,0,0,1|2,0,0]=4 139 B14R2.19007 O=C1NC2=CC=CC(Cl)=C2\C1=C/O 5597AH [0,2,0,0,0,0|2,0,0]=4 140 B14R2.4507 O=C1NC2=C(C=C(Br)C=N2)C1(Br)Br 9595AA [0,2,0,0,0,0|2,0,0]=4