0 B10R1.20 CCC1=C(C#N)C=CC=C1 0896AE [0,0,0,0,0,0|4,0,0]=4 1 B10R1.20 CCC1=C(CC)C=CC=C1 8567AJ [0,0,0,0,0,0|3,0,0]=3 2 B10R1.20 CCC1=C(SC)N=CC=N1 5052AL [0,0,0,0,0,0|0,0,0]=0 3 B10R1.20 CCC1=CC=CC=C1OC 5616AL [0,0,0,0,0,0|2,1,0]=3 4 B10R1.20 CNC1=C(C=O)C=CC=N1 0212AE [0,0,0,0,0,0|3,0,1]=4 5 B10R1.20 CNC1=C(OC)C=CC=C1 1244AA [0,0,0,0,0,0|3,1,0]=4 6 B10R1.20 CNC1=NC=CC=C1C#N V6393 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.20 CNC1=NC=CC=C1CO W5421 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.20 COC1=C(CN)C=CC=N1 2549AA [0,0,0,0,0,0|2,1,0]=3 9 B10R1.20 COC1=CC=CC=C1CN W6218 [0,0,0,0,0,0|3,1,0]=4 10 B10R1.20 COC1=CC=CC=C1SC L298 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.20 COC1=CC=CN=C1C#N V4606 [0,0,0,0,0,0|2,1,1]=4 12 B10R1.20 COC1=CC=CN=C1C=O V3952 [0,0,0,0,0,0|2,1,1]=4 13 B10R1.20 COC1=NC=CC=C1C#N V1358 [0,0,0,0,0,0|2,1,1]=4 14 B10R1.20 COC1=NC=CC=C1C=O V1359 [0,0,0,0,0,0|2,1,1]=4 15 B10R1.20 COC1=NC=CC=C1CN W5710 [0,0,0,0,0,0|2,1,0]=3 16 B10R1.20 COC1=NC=CC=C1CO X7935 [0,0,0,0,0,0|2,1,0]=3 17 B10R1.20 N#CC1=CC=CN=C1CBr 2765AA [0,0,0,0,0,0|4,0,0]=4 18 B9R1.15 BrCC1=CC=CN=C1Br Y4790 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 C#CC1=NC=CN=C1N X8513 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.15 CC1=C(C=O)C=CC=N1 W7274 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.15 CC1=C(CCl)N=CC=C1 6035AB [1,0,0,0,0,0|2,0,0]=3 22 B9R1.15 CC1=C(CN)N=CC=C1 7725AA [1,0,0,0,0,0|2,0,0]=3 23 B9R1.15 CC1=C(CO)N=CC=C1 9578AB [1,0,0,0,0,0|2,0,0]=3 24 B9R1.15 CC1=CC=CN=C1C=O W6954 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.15 CC1=CC=CN=C1CCl Z4758 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.15 CC1=CC=CN=C1CN Y7623 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.15 CC1=CC=CN=C1NN 6684AB [1,0,0,0,0,0|3,0,0]=4 28 B9R1.15 CC1=NC=CC=C1C#N 8848AA [1,0,0,0,0,0|2,0,1]=4 29 B9R1.15 CC1=NC=CN=C1C=O 2084AB [1,0,0,0,0,0|1,0,1]=3 30 B9R1.15 CCC1=C(Br)C=CC=N1 5014AB [1,0,0,0,0,0|2,0,0]=3 31 B9R1.15 CCC1=C(Br)C=NC=N1 V9538 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 CCC1=CC=CC=C1Cl 2607AF [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [1,0,0,0,0,0|2,0,0]=3 34 B9R1.15 CCC1=CC=CN=C1N 5897AB [1,0,0,0,0,0|2,0,0]=3 35 B9R1.15 CCC1=CN=CN=C1Cl 7779AB [1,0,0,0,0,0|3,0,0]=4 36 B9R1.15 CCC1=NC=CN=C1Cl 9678AB [1,0,0,0,0,0|1,0,0]=2 37 B9R1.15 CNC1=C(Cl)C=CC=N1 4045AE [1,0,0,0,0,0|3,0,0]=4 38 B9R1.15 CNC1=CC=CC=C1C Z6802 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.15 CNC1=CC=CN=C1Cl N415 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.15 COC1=CC=CN=C1C 5357AH [1,0,0,0,0,0|1,1,0]=3 41 B9R1.15 COC1=CC=CN=C1F Z0246 [1,0,0,0,0,0|2,1,0]=4 42 B9R1.15 COC1=NC=CC=C1F Z5254 [1,0,0,0,0,0|2,1,0]=4 43 B9R1.15 COC1=NC=CC=C1O Z0120 [1,0,0,0,0,0|2,1,0]=4 44 B9R1.15 COC1=NC=CN=C1Br Z3980 [1,0,0,0,0,0|1,1,0]=3 45 B9R1.15 COC1=NC=CN=C1I V6756 [1,0,0,0,0,0|1,1,0]=3 46 B9R1.15 COC1=NC=CN=C1N W6434 [1,0,0,0,0,0|1,1,0]=3 47 B9R1.15 CSC1=CC=CC=C1Cl L223 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.15 CSC1=CC=CN=C1F Z0373 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.15 CSC1=NC=CN=C1C Z2583 [1,0,0,0,0,0|0,0,0]=1 50 B9R1.15 ClCC1=NC=CC=C1Br V3162 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.15 ClCC1=NC=CC=C1Cl 9689AA [1,0,0,0,0,0|3,0,0]=4 52 B9R1.15 FC1=CC=CN=C1CCl V3424 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.15 N#CC1=NC=CN=C1N W4927 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.15 NCC1=C(Cl)C=CC=N1 6797AB [1,0,0,0,0,0|3,0,0]=4 55 B9R1.15 NCC1=NC=CC=C1F 3344AB [1,0,0,0,0,0|3,0,0]=4 56 B9R1.15 NCC1=NC=CN=C1Cl W8381 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 NCC1=NC=CN=C1Cl W9640 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.15 NNC1=NC=CN=C1Cl W7528 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.15 O=CC1=NC=CN=C1Cl X0372 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.15 OCC1=C(S)C=CC=C1 3883AE [1,0,0,0,0,0|3,0,0]=4 61 B9R1.15 OCC1=NC=CC=C1F W5329 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.15 OCC1=NC=CC=C1O V3086 [1,0,0,0,0,0|2,1,0]=4 63 B11R1.37 COC1=C(OC)N=C(I)C=C1 0162AE [0,1,0,0,0,0|2,1,0]=4 64 B11R1.37 COC1=C(OC)N=C(N)C=C1 Z9380 [0,1,0,0,0,0|2,1,0]=4 65 B11R1.37 COC1=CC(Br)=CN=C1OC Z0659 [0,1,0,0,0,0|2,1,0]=4 66 B11R1.37 COC1=CC=C(Br)C=C1SC Z0766 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.37 COC1=NC=C(Br)C=C1CO 1262AE [0,1,0,0,0,0|2,1,0]=4 68 B11R1.37 COC1=NC=C(Br)N=C1OC W9235 [0,1,0,0,0,0|1,1,0]=3 69 B11R1.41 CCNC1=NC=CC=C1C#N V6394 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.41 CNCC1=C(OC)C=CC=C1 0580AC [0,1,0,0,0,0|2,1,0]=4 71 B11R1.41 COC1=C(CCBr)C=CC=C1 1683AE [0,1,0,0,0,0|2,1,0]=4 72 B11R1.41 COC1=CC=CC=C1CCO Z5088 [0,1,0,0,0,0|2,1,0]=4 73 B11R1.53 CCC1=NC=CC=C1C(=O)O 4086AB [0,1,0,0,0,0|3,0,0]=4 74 B11R1.53 COC1=C(C(C)O)C=CC=C1 6281AA [0,1,0,0,0,0|2,1,0]=4 75 B11R1.53 COC1=NC=CC=C1C(C)=O 5873AA [0,1,0,0,0,0|1,1,1]=4 76 B11R1.53 COC1=NC=CN=C1C(=O)O Z4703 [0,1,0,0,0,0|1,1,1]=4 77 B11R2.1 O=C1CCC2=CC=CN=C12 W5328 [0,0,0,1,0,0|3,0,0]=4 78 B11R2.1 O=C1CCC2=NC=CC=C12 W5126 [0,0,0,1,0,0|3,0,0]=4 79 B11R2.1 OC1CCC2=CC=CN=C21 W6188 [0,0,0,1,0,0|3,0,0]=4 80 B11R2.20 C1=CC2=C(C=C1)OCCC2 V6174 [0,0,0,1,0,0|2,1,0]=4 81 B11R2.20 C1=CC2=C(CCCN2)N=C1 6807AA [0,0,0,1,0,0|2,0,0]=3 82 B11R2.20 C1=CC2=C(CCNC2)N=C1 4253AB [0,0,0,1,0,0|3,0,0]=4 83 B11R2.20 C1=CC2=C(CCNC2)N=C1 X9281 [0,0,0,1,0,0|3,0,0]=4 84 B11R2.20 C1=CC2=C(CNCC2)N=C1 4315AB [0,0,0,1,0,0|3,0,0]=4 85 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z4118 [0,0,0,1,0,0|2,0,0]=3 86 B11R2.20 C1=CC2=C(N=C1)NCCO2 0424AB [0,0,0,1,0,0|2,1,0]=4 87 B11R2.20 C1=CC2=C(N=C1)OCCN2 8778AC [0,0,0,1,0,0|2,1,0]=4 88 B11R2.20 C1=CC2=C(N=C1)OCCO2 P322 [0,0,0,1,0,0|2,1,0]=4 89 B11R2.20 C1=CC=C2SCCNC2=C1 X7913 [0,0,0,1,0,0|3,0,0]=4 90 B11R2.20 C1=CN=C2NCCNC2=C1 W5731 [0,0,0,1,0,0|3,0,0]=4 91 B9R1.14 CCN1N=CC=C1C=O 2707AF [0,0,0,0,1,0|3,0,0]=4 92 B8R1.2 BrCC1=NC=CN=C1 5266AJ [2,0,0,0,0,0|1,0,0]=3 93 B8R1.2 CNC1=NC=CN=C1 3544AB [2,0,0,0,0,0|1,0,0]=3 94 B8R1.2 CSC1=NC=CC=C1 L314 [2,0,0,0,0,0|1,0,0]=3 95 B8R1.2 CSC1=NC=CC=N1 X0139 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.2 CSC1=NC=CN=N1 X6051 [2,0,0,0,0,0|1,0,0]=3 97 B8R1.2 ClCC1=CN=CC=N1 0741AB [2,0,0,0,0,0|1,0,0]=3 98 B8R1.2 NCC1=NC=CN=C1 W5959 [2,0,0,0,0,0|1,0,0]=3 99 B8R1.5 BrC1=NC=CN=C1Br W9749 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.5 CC1=CC=CN=C1F I218 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.5 CC1=CC=CN=C1I L284 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.5 CC1=CC=CN=C1O Z5345 [2,0,0,0,0,0|1,1,0]=4 103 B8R1.5 CC1=NC=CC=C1Cl W8084 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.5 CC1=NC=CC=C1F W3456 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.5 CC1=NC=CN=C1Br Z3979 [2,0,0,0,0,0|1,0,0]=3 106 B8R1.5 CC1=NC=CN=C1Cl W9751 [2,0,0,0,0,0|1,0,0]=3 107 B8R1.5 CC1=NC=CN=C1N X7049 [2,0,0,0,0,0|1,0,0]=3 108 B8R1.5 NC1=NC=CN=C1Br X2934 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.5 NC1=NC=CN=C1I W5604 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.5 NC1=NC=CN=C1N X9790 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.5 NC1=NC=CN=C1O W6256 [2,0,0,0,0,0|1,1,0]=4 112 B10R1.4 CC1=CC=CC=C1CCN S579 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.4 CCCC1=NC=CN=C1C 5716AL [1,1,0,0,0,0|0,0,0]=2 114 B10R1.4 CCNC1=NC=CN=C1N W9368 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.4 CCOC1=C(Br)C=CC=N1 8550AB [1,1,0,0,0,0|2,0,0]=4 116 B10R1.4 CCOC1=C(I)C=CC=N1 9446AE [1,1,0,0,0,0|2,0,0]=4 117 B10R1.4 CCOC1=C(N)N=CC=C1 7078AC [1,1,0,0,0,0|2,0,0]=4 118 B10R1.4 CCOC1=NC=CN=C1N W9234 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.4 CNCC1=C(C)N=CC=C1 5583AJ [1,1,0,0,0,0|1,0,0]=3 120 B10R1.25 CC1=CC=C(CO)C(C)=N1 6029AE [1,1,0,0,0,0|2,0,0]=4 121 B10R1.25 CC1=CN=C(CCl)C(C)=C1 Z5081 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.25 CC1=CN=C(CO)C(C)=C1 0932AC [1,1,0,0,0,0|2,0,0]=4 123 B10R1.25 CC1=NC(F)=CC=C1CO Z0987 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.25 CCC1=NC=C(C)N=C1C 6750AA [1,1,0,0,0,0|0,0,0]=2 125 B10R1.25 COC1=C(C)C=C(F)C=N1 4130AC [1,1,0,0,0,0|1,1,0]=4 126 B10R1.25 COC1=C(C)C=C(N)C=N1 3583AJ [1,1,0,0,0,0|1,1,0]=4 127 B10R1.25 CSC1=CC=C(F)C=C1C Z0086 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.30 CCC1=C(O)C=CC(C)=N1 R736 [1,1,0,0,0,0|1,1,0]=4 129 B10R1.30 COC1=NC(Br)=CN=C1Cl Y5647 [1,1,0,0,0,0|1,1,0]=4 130 B10R1.30 COC1=NC(C)=CN=C1N 4807AC [1,1,0,0,0,0|1,1,0]=4 131 B10R1.30 COC1=NC(Cl)=CN=C1N W8970 [1,1,0,0,0,0|1,1,0]=4 132 B10R1.61 CC(=O)C1=CC=CN=C1C Y7806 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.61 CC(=O)C1=NC=CN=C1Cl 3776AA [1,1,0,0,0,0|1,0,1]=4 134 B10R1.61 CC(O)C1=C(Cl)N=CC=C1 5872AA [1,1,0,0,0,0|2,0,0]=4 135 B10R1.61 CC1=NC=CN=C1C(=O)O W6160 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.61 CN(C)C1=NC=CN=C1N W9238 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.268 CCOC1=CC(Cl)=CN=C1OC Z8600 [0,2,0,0,0,0|1,1,0]=4 138 B12R1.77 CCC(C)C1=NC=CN=C1OC L293 [0,2,0,0,0,0|0,1,0]=3 139 B10R2.7 C1=CC2=C(N=C1)NCC2 X8780 [1,0,0,1,0,0|2,0,0]=4 140 B10R2.7 C1=CN=C2SC=CC2=N1 W6994 [1,0,0,1,0,0|0,0,2]=4 141 B12R2.24 CC1=NC2=C(C=C1)CCCN2 Y8529 [0,1,0,1,0,0|2,0,0]=4 142 B12R2.24 ClC1=CC=C2CCCCC2=N1 Z4404 [0,1,0,1,0,0|2,0,0]=4 143 B12R2.24 ClC1=NC2=C(CCCC2)N=C1 5023AH [0,1,0,1,0,0|1,0,0]=3 144 B12R2.1081 NC1CCCC2=CC=CN=C21 3020AJ [0,1,0,1,0,0|2,0,0]=4 145 B12R2.1081 O=C1CCCC2=C1C=CC=N2 Y6538 [0,1,0,1,0,0|2,0,0]=4 146 B8R1.11 CC1=C(CO)N=CN1 3032AB [1,0,0,0,1,0|1,0,1]=4 147 B8R1.11 CC1=NNC=C1CO 4676AE [1,0,0,0,1,0|2,0,0]=4 148 B8R1.11 CCC1=CNN=C1N X8546 [1,0,0,0,1,0|2,0,0]=4 149 B8R1.11 CCC1=NN=NN1C Y5054 [1,0,0,0,1,0|2,0,0]=4 150 B8R1.11 CN1C=CN=C1CCl 9984AA [1,0,0,0,1,0|2,0,0]=4 151 B8R1.11 CN1N=CC=C1CCl 0463AF [1,0,0,0,1,0|2,0,0]=4 152 B8R1.11 CN1N=CC=C1CCl 6276AJ [1,0,0,0,1,0|2,0,0]=4 153 B8R1.11 CN1N=CC=C1CN Y5590 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.11 COC1=CC=NN1C 6266AA [1,0,0,0,1,0|1,1,0]=4