0 B9R1.15 CC1=C(NN)C=CC=C1 1069AL [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 CC1=C(NN)C=CC=N1 8099AA [0,0,0,0,0,0|3,0,0]=3 2 B9R1.15 CCC1=C(C)C=CN=C1 R348 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 CCC1=C(F)C=NC=C1 6558AA [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CCC1=CC=CN=C1C X8230 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.15 CCC1=CN=CNC1=O 3205AJ [0,0,0,0,0,0|3,0,1]=4 6 B9R1.15 CNC1=NC=CC=C1I Y3706 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.15 CSC1=CC=CN=C1Cl Z0760 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.15 FC1=C(CBr)N=CC=C1 4239AA [0,0,0,0,0,0|3,0,0]=3 9 B9R1.15 N#CC1=NC=CC=C1I W8637 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.2 BrCC1=CN=CC=C1 0834AC [1,0,0,0,0,0|2,0,0]=3 11 B8R1.2 BrCC1=NC=CC=C1 8088AB [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 BrCC1=NC=CN=C1 Y9584 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.2 CNC1=CC=CC=C1 7883AF [1,0,0,0,0,0|3,0,0]=4 14 B8R1.2 ClCC1=CN=CN=C1 0370AA [1,0,0,0,0,0|3,0,0]=4 15 B8R1.2 NCC1=CC=NN=C1 7280AB [1,0,0,0,0,0|3,0,0]=4 16 B8R1.2 NCC1=NC=CC=N1 Z1925 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.2 O=CC1=NN=CC=N1 9261AH [1,0,0,0,0,0|2,0,1]=4 18 B8R1.5 CC1=C(Br)N=NC=C1 6897AA [1,0,0,0,0,0|3,0,0]=4 19 B8R1.5 NC1=CC=CN=C1Cl 1676AJ [1,0,0,0,0,0|3,0,0]=4 20 B10R1.2 CC1=C(Cl)C=CC=C1CO Z1056 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.2 CNC1=CC=CC(Br)=C1C 2219AJ [0,1,0,0,0,0|3,0,0]=4 22 B10R1.4 CCCC1=C(C)C=CN=C1 Z0694 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.4 CCOC1=CC=CC=C1S I213 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.20 CCC1=C(CC)C=CC=C1 1495AL [0,1,0,0,0,0|2,0,0]=3 25 B10R1.20 COC1=NC=CN=C1CBr Z2522 [0,1,0,0,0,0|1,0,0]=2 26 B10R1.20 CSC1=CC=CC=C1CN Y9469 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.20 N#CC1=C(CN)C=CC=N1 Y1964 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.20 NCC1=C(CN)C=CC=C1 8923AA [0,1,0,0,0,0|3,0,0]=4 29 B10R1.20 SCC1=CC=CC=C1CS 0786AP [0,1,0,0,0,0|3,0,0]=4 30 B10R1.25 CC1=C(CN)C=CC(Cl)=C1 9031AD [0,1,0,0,0,0|3,0,0]=4 31 B10R1.25 CC1=CC=C(CBr)C(C)=C1 Z5135 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.25 COC1=CC=C(C)N=C1F Y3820 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.25 COC1=NC=C(I)C=C1C Z0408 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.25 CSC1=CC=C(Cl)N=C1Cl Z1280 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.25 CSC1=CC=C(F)N=C1C Y3810 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.30 CC1=C(CN)C=C(Cl)C=C1 9032AD [0,1,0,0,0,0|3,0,0]=4 37 B10R1.30 CC1=CC=C(C)C(CN)=C1 W9616 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.30 COC1=CC(Cl)=CN=C1F Y3901 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.30 FC1=NC=C(Cl)C=C1CBr Y3894 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.61 CC(O)C1=C(N)C=CC=N1 9430AH [0,1,0,0,0,0|2,0,0]=3 41 B10R1.245 CC1=C(C=O)C(Br)=CC=N1 X3721 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.245 COC1=C(I)C=CN=C1F Y3902 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.245 COC1=[N+]([O-])C=CC=C1C 9988AA [0,1,0,0,0,0|2,0,1]=4 44 B10R2.7 C1=CC2=C(CC=C2)N=C1 2529AB [0,0,0,1,0,0|1,0,2]=4 45 B10R2.7 C1=CN=C2CNCC2=N1 V8402 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.11 CC1=C(CN)SC=C1 0965AA [0,0,0,0,1,0|2,0,0]=3 47 B8R1.11 CCC1=NNC=C1Br Y5291 [0,0,0,0,1,0|2,0,0]=3 48 B8R1.11 CN1C=NN=C1CCl X2012 [0,0,0,0,1,0|3,0,0]=4 49 B8R1.11 NCC1=C(Br)SC=C1 8484AH [0,0,0,0,1,0|3,0,0]=4 50 B7R0.10 CC(=N/[O-])\C(C)=N\[O-] 7200AF [1,0,1,0,0,0|2,0,0]=4 51 B7R1.3 ClC1=NC=CC=C1 7352AF [2,0,0,0,0,0|2,0,0]=4 52 B7R1.3 FC1=NC=CC=C1 7353AF [2,0,0,0,0,0|2,0,0]=4 53 B9R1.1 C=CC1=NC=C(C)N=C1 6751AA [1,1,0,0,0,0|0,0,2]=4 54 B9R1.1 CC1=CC=C(CN)C=N1 Y9493 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.1 CC1=CN=C(CCl)C=C1 1952AC [1,1,0,0,0,0|2,0,0]=4 56 B9R1.1 CC1=NC=C(CBr)C=C1 2397AC [1,1,0,0,0,0|2,0,0]=4 57 B9R1.1 CCC1=CC=C(Br)N=N1 7660AA [1,1,0,0,0,0|2,0,0]=4 58 B9R1.1 CCC1=CN=C(C)C=C1 6769AL [1,1,0,0,0,0|1,0,0]=3 59 B9R1.1 COC1=NC=C(C)N=C1 2866AB [1,1,0,0,0,0|1,0,0]=3 60 B9R1.1 CSC1=CN=C(F)C=C1 Y3574 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.1 CSC1=NC=C(C)N=C1 2880AB [1,1,0,0,0,0|1,0,0]=3 62 B9R1.1 NC1=CC=C(CCl)N=C1 5924AH [1,1,0,0,0,0|2,0,0]=4 63 B9R1.1 NCC1=NC=C(F)C=C1 Y2001 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.2 CCC1=CC=C[N+]([O-])=C1 7429AA [1,1,0,0,0,0|1,0,1]=4 65 B9R1.2 CCC1=NC(C)=CN=C1 R550 [1,1,0,0,0,0|0,0,0]=2 66 B9R1.2 CNC1=NC=CC(I)=C1 Z1369 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.2 CSC1=NC(C)=CN=N1 9184AD [1,1,0,0,0,0|2,0,0]=4 68 B9R1.6 CC(C)C1=NC=CN=C1 R572 [1,1,0,0,0,0|0,0,0]=2 69 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [1,1,0,0,0,0|2,0,0]=4 70 B9R1.8 CCCC1=CN=CC=C1 6392AB [1,1,0,0,0,0|1,0,0]=3 71 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.3 CC1=NC=CC(Br)=C1O 4340AA [1,1,0,0,0,0|2,0,0]=4 73 B9R1.69 CC1=CC(Br)=CN=C1N Z1301 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.69 CC1=CC=C(C)C(C)=N1 7915AF [1,1,0,0,0,0|1,0,0]=3 75 B9R1.69 CC1=CC=C(F)N=C1C Y3886 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.14 CCC1=NNC=C1C=O Y5289 [0,1,0,0,1,0|1,0,1]=4 77 B9R1.22 CC1=NC(CN)=C(C)O1 Y4347 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.33 CC1=C(CC#N)N=CN1 4743AE [0,1,0,0,1,0|0,0,2]=4 79 B9R1.41 CC(=O)C1=CNN=C1C X5410 [0,1,0,0,1,0|1,0,1]=4 80 B11R1.265 COC1=C(Cl)C=CN=C1CCl 9849AL [0,2,0,0,0,0|2,0,0]=4 81 B11R1.17 COCOC1=CC=CN=C1I Y4451 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.17 OCCNC1=NC=CC=C1I Y4622 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.41 COC1=C(CCN)C=CC=C1 Y1181 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.81 CCOC1=CC=C(C)N=C1F Y3506 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.81 CCOC1=CC=C(Cl)N=C1Cl Z0180 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.86 CC(C)OC1=CC=CN=C1F Z0174 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.182 CCOC1=CC(Br)=CN=C1F Z0178 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.37 CCC1=CC(Br)=CC=C1CO Z0969 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.53 COC1=C(C(C)Br)C=CC=C1 1291AB [0,2,0,0,0,0|2,0,0]=4 90 B11R1.53 COC1=CC=CC=C1[C@@H](C)N W7850 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.53 COC1=CC=CC=C1[C@H](C)N W7851 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.277 CC1=NC(C)=C(C)N=C1CO 1798AC [0,2,0,0,0,0|1,0,0]=3 93 B11R1.167 CC(=O)C1=NC(C)=CN=C1C 7816AB [0,2,0,0,0,0|0,0,1]=3 94 B11R1.167 CC1=CC=C(C)C([C@H](C)N)=C1 W6200 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.167 CC1=CN=C(F)C(C(C)O)=C1 Z1231 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.280 CCC1=CC=C(Br)C(CC)=N1 W9944 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.87 CC(C)(O)C1=CC=CN=C1F 7947AJ [0,2,0,0,0,0|2,0,0]=4 98 B11R1.87 FC(F)(F)C1=C(I)N=CC=N1 3510AD [0,2,0,0,0,0|2,0,0]=4 99 B9R2.3 C1=NC2=C(CNC2)N1 X3576 [0,0,0,1,1,0|1,0,1]=4 100 B9R2.3 C1=NC2=C(CNC2)S1 3032AJ [0,0,0,1,1,0|2,0,0]=4 101 B9R2.3 C1=NC2=C(CNC2)S1 3033AJ [0,0,0,1,1,0|2,0,0]=4 102 B9R2.3 C1=NNC2=C1CCC2 1521AL [0,0,0,1,1,0|1,0,1]=4 103 B11R2.106 ClC1=NC=NC2=C1CCC2 W1351 [0,1,0,1,0,0|2,0,0]=4 104 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 0674AA [0,1,0,1,0,0|2,0,0]=4 105 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.1 BrCC1=CSC=N1 Y9346 [1,0,0,0,1,0|2,0,0]=4 107 B7R1.1 BrCC1=NC=CS1 Y7403 [1,0,0,0,1,0|2,0,0]=4 108 B7R1.1 CCN1C=NN=N1 Y5020 [1,0,0,0,1,0|2,0,0]=4 109 B7R1.1 CNC1=CC=CS1 1494AC [1,0,0,0,1,0|2,0,0]=4 110 B7R1.1 COC1=CC=CN1 Y1596 [1,0,0,0,1,0|1,0,1]=4 111 B7R1.1 COC1=COC=C1 W1886 [1,0,0,0,1,0|2,0,0]=4 112 B7R1.1 COC1=NSC=C1 Z1859 [1,0,0,0,1,0|2,0,0]=4 113 B7R1.1 ClCC1=CC=CO1 Z5545 [1,0,0,0,1,0|2,0,0]=4 114 B7R1.1 ClCC1=COC=C1 W3162 [1,0,0,0,1,0|2,0,0]=4 115 B7R1.1 ClCC1=CSC=N1 9485AJ [1,0,0,0,1,0|2,0,0]=4 116 B7R1.1 ClCC1=NC=CN1 5437AB [1,0,0,0,1,0|1,0,1]=4 117 B7R1.1 NCC1=CN=CO1 Y4206 [1,0,0,0,1,0|2,0,0]=4 118 B7R1.1 NCC1=NC=CO1 4279AC [1,0,0,0,1,0|2,0,0]=4 119 B7R1.1 NCC1=NOC=N1 1943AC [1,0,0,0,1,0|2,0,0]=4 120 B7R1.1 OCC1=CSC=N1 Y7005 [1,0,0,0,1,0|2,0,0]=4 121 B7R1.1 OCC1=NNC=N1 8322AH [1,0,0,0,1,0|2,0,0]=4 122 B7R1.4 CC1=C(Br)OC=C1 Z5551 [1,0,0,0,1,0|2,0,0]=4 123 B7R1.4 CC1=C(C)SC=C1 Z5548 [1,0,0,0,1,0|1,0,0]=3 124 B7R1.4 CC1=CSN=C1Br 2193AJ [1,0,0,0,1,0|2,0,0]=4 125 B7R1.4 CN1C=CN=C1F 0253AC [1,0,0,0,1,0|2,0,0]=4