0 B11R2.1 CC1C=CC2=CC=CC=C21 OR52581 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.1 CN1CCC2=CC=CC=C21 OR346348 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.1 NC1=CSC2=C1N=CC=N2 OR9221 [0,0,0,0,0,0|2,0,2]=4 3 B11R2.1 NC1CCC2=C1C=CC=C2 OR11114 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 NC1CCC2=CC=CC=C21 OR3610 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.1 NN1CCC2=C1C=CC=C2 OR7783 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 OR46214 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 OR30437 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 OR30654 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.1 O=C1CCC2=C1C=CC=C2 OR6561 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.1 O=C1CCC2=NC=CC=C12 OR60178 [0,0,0,0,0,0|2,0,1]=3 11 B11R2.1 O=C1NCC2=C1N=CC=C2 OR53107 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.1 O=C1NCC2=NC=CC=C12 OR305375 [0,0,0,0,0,0|3,0,1]=4 13 B11R2.1 OC1CCC2=C1C=CC=C2 OR6504 [0,0,0,0,0,0|3,0,0]=3 14 B10R2.7 C1=CC2=C(C=C1)CCC2 OR18290 [1,0,0,0,0,0|2,0,0]=3 15 B10R2.7 C1=CC2=C(C=C1)CNC2 OR350210 [1,0,0,0,0,0|3,0,0]=4 16 B10R2.7 C1=CC2=C(C=C1)NCC2 OR6520 [1,0,0,0,0,0|3,0,0]=4 17 B10R2.7 C1=CC=C2COCC2=C1 OR24902 [1,0,0,0,0,0|3,0,0]=4 18 B10R2.7 C1=CC=C2OCCC2=C1 OR28826 [1,0,0,0,0,0|3,0,0]=4 19 B10R2.7 C1=CN=C2CCCC2=C1 OR5187 [1,0,0,0,0,0|1,0,0]=2 20 B10R2.7 C1=CN=C2CNCC2=C1 OR30672 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.18 NC1C2=CC=CC=C2CC1O OR2608 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.18 NC1CC2=CC=CC=C2C1O OR2609 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O OR2317 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@H]1O OR55290 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.18 N[C@@H]1CC2=CC=CC=C2[C@H]1O OR55258 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O OR52536 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O OR18545 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.18 OC1C2=CC=CC=C2CC1Br OR0846 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 OR14883 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.612 CN1CCC2=C1C=CC(N)=C2 OR14868 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.612 CN1CCC2=C1C=CC(N)=C2 OR52396 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 OR25011 [0,1,0,0,0,0|2,0,1]=4 33 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 OR313014 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.15 CC(CN)C1=CC=CC=C1 OR6734 [0,0,1,0,0,0|3,0,0]=4 35 B10R1.15 CCC(Br)C1=CC=CC=C1 OR55292 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.15 CCC(O)C1=CC=CC=C1 OR10953 [0,0,1,0,0,0|3,0,0]=4 37 B10R1.15 CC[C@H](N)C1=CC=CC=C1 OR52676 [0,0,1,0,0,0|3,0,0]=4 38 B10R1.15 COC(=O)C1=NC=CN=C1 OR6399 [0,0,1,0,0,0|2,0,1]=4 39 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 OR3244 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.15 NCC(O)C1=CN=CC=C1 OR12818 [0,0,1,0,0,0|3,0,0]=4 41 B10R1.15 NCC(O)C1=NC=CC=C1 OR12817 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.15 NCC(O)C1=NC=CC=C1 OR60079 [0,0,1,0,0,0|3,0,0]=4 43 B10R1.17 BrCCCC1=CC=CC=C1 OR10084 [0,0,1,0,0,0|3,0,0]=4 44 B10R1.17 CCNCC1=CC=CC=C1 OR5309 [0,0,1,0,0,0|3,0,0]=4 45 B10R1.17 CNCCC1=NC=CC=C1 OR22222 [0,0,1,0,0,0|2,0,0]=3 46 B10R1.17 NCCCC1=CC=CC=C1 OR5083 [0,0,1,0,0,0|3,0,0]=4 47 B10R1.20 C#CC1=NC=CN=C1OC OR53016 [0,0,1,0,0,0|1,0,2]=4 48 B10R1.20 CCC1=C(CC)C=CC=C1 OR2180 [0,0,1,0,0,0|2,0,0]=3 49 B10R1.20 CNC1=NC=CC=C1CO OR42175 [0,0,1,0,0,0|3,0,0]=4 50 B10R1.20 COC1=CC=CN=C1CN OR306470 [0,0,1,0,0,0|3,0,0]=4 51 B10R1.20 COC1=CC=CN=C1OC OR6412 [0,0,1,0,0,0|3,0,0]=4 52 B10R1.20 ClCC1=CC=CN=C1CCl OR322857 [0,0,1,0,0,0|3,0,0]=4 53 B10R1.20 OCC1=CC=CN=C1CO OR322897 [0,0,1,0,0,0|3,0,0]=4 54 B10R1.20 SCC1=NC=CN=C1CS OR20050 [0,0,1,0,0,0|2,0,0]=3 55 B10R1.61 CC(=O)C1=NC=CC=C1C OR40729 [0,0,1,0,0,0|2,0,1]=4 56 B10R1.61 CC(C)C1=C(Br)C=NC=N1 OR11585 [0,0,1,0,0,0|3,0,0]=4 57 B10R1.61 CC(C)C1=C(I)C=CC=C1 OR11375 [0,0,1,0,0,0|3,0,0]=4 58 B10R1.61 CC(C)C1=C(N)C=CC=C1 OR28577 [0,0,1,0,0,0|3,0,0]=4 59 B10R1.61 CC(C)C1=CC=CC=C1O OR322047 [0,0,1,0,0,0|3,0,0]=4 60 B10R1.61 CC1=NC=CN=C1C(=O)O OR59825 [0,0,1,0,0,0|2,0,1]=4 61 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 OR0653 [0,0,0,0,0,1|0,0,3]=4 62 B12R2.24 CC1CNC2=CC=CC=C2O1 OR40370 [0,0,0,0,0,1|3,0,0]=4 63 B12R2.24 CC1CNC2=CC=CC=C2S1 OR61156 [0,0,0,0,0,1|3,0,0]=4 64 B12R2.24 O=C1CCC2=CC=CN=C2N1 OR16683 [0,0,0,0,0,1|2,0,1]=4 65 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 OR40591 [0,0,0,0,0,1|3,0,0]=4 66 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 OR55303 [0,0,0,0,0,1|2,0,0]=3 67 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 OR40592 [0,0,0,0,0,1|3,0,0]=4 68 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 OR52314 [0,0,0,0,0,1|2,0,0]=3 69 B12R2.1081 O=C1CCCC2=C1C=CC=N2 OR17531 [0,0,0,0,0,1|2,0,1]=4 70 B12R2.1081 O=C1CCCC2=C1N=CC=C2 OR301103 [0,0,0,0,0,1|2,0,1]=4 71 B12R2.1081 OC1CCCC2=CC=CC=C21 OR24205 [0,0,0,0,0,1|3,0,0]=4 72 B9R1.6 CC(=O)C1=NC=CN=C1 OR5593 [1,0,1,0,0,0|1,0,1]=4 73 B9R1.6 CC(Br)C1=CC=CN=C1 OR46058 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.6 CC(N)C1=CN=CC=C1 OR01562 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.6 CC(N)C1=NC=CC=C1 OR01560 [1,0,1,0,0,0|2,0,0]=4 76 B9R1.6 CC(O)C1=CC=CC=N1 OR01623 [1,0,1,0,0,0|2,0,0]=4 77 B9R1.6 CC(O)C1=CC=CN=C1 OR01622 [1,0,1,0,0,0|2,0,0]=4 78 B9R1.6 CN(C)C1=NC=CC=C1 OR13607 [1,0,1,0,0,0|2,0,0]=4 79 B9R1.6 C[C@@H](N)C1=NC=CC=C1 OR70108 [1,0,1,0,0,0|2,0,0]=4 80 B9R1.6 C[C@H](N)C1=NC=CC=C1 OR46602 [1,0,1,0,0,0|2,0,0]=4 81 B9R1.8 CCOC1=NC=CC=C1 OR40436 [1,0,1,0,0,0|2,0,0]=4 82 B9R1.8 CNCC1=CC=CN=C1 OR30155 [1,0,1,0,0,0|2,0,0]=4 83 B9R1.8 CNCC1=NC=CC=C1 OR12501 [1,0,1,0,0,0|2,0,0]=4 84 B9R1.8 CNCC1=NC=CC=C1 OR51995 [1,0,1,0,0,0|2,0,0]=4 85 B9R1.8 COCC1=NC=CC=C1 OR13609 [1,0,1,0,0,0|2,0,0]=4 86 B9R1.8 ClCCC1=NC=CC=C1 OR303592 [1,0,1,0,0,0|2,0,0]=4 87 B9R1.8 NCCC1=NC=CC=C1 OR28599 [1,0,1,0,0,0|2,0,0]=4 88 B9R1.8 NCCC1=NC=CN=C1 OR1046 [1,0,1,0,0,0|1,0,0]=3 89 B9R1.8 OCCC1=CC=CN=C1 OR0520 [1,0,1,0,0,0|2,0,0]=4 90 B9R1.8 OCCC1=NC=CC=C1 OR13610 [1,0,1,0,0,0|2,0,0]=4 91 B9R1.8 SCCC1=NC=CC=C1 OR305591 [1,0,1,0,0,0|2,0,0]=4 92 B9R1.15 C#CC1=NC=CN=C1C OR53020 [1,0,1,0,0,0|0,0,2]=4 93 B9R1.15 CC1=CC=CN=C1CN OR52052 [1,0,1,0,0,0|2,0,0]=4 94 B9R1.15 CC1=NC=CN=C1NN OR60215 [1,0,1,0,0,0|2,0,0]=4 95 B9R1.15 COC1=NC=CN=C1Cl OR61101 [1,0,1,0,0,0|2,0,0]=4 96 B9R1.15 COC1=NC=CN=C1N OR301247 [1,0,1,0,0,0|2,0,0]=4 97 B9R1.15 NCC1=NC=CN=C1Cl OR301313 [1,0,1,0,0,0|2,0,0]=4 98 B9R1.15 NCC1=NC=CN=C1Cl OR54357 [1,0,1,0,0,0|2,0,0]=4 99 B9R1.15 NCC1=NC=CN=C1Cl OR61103 [1,0,1,0,0,0|2,0,0]=4 100 B9R1.15 OCC1=NC=CN=C1Cl OR321372 [1,0,1,0,0,0|2,0,0]=4 101 B11R1.7 CC(C)(C#N)C1=NC=CN=C1 OR318117 [0,1,1,0,0,0|1,0,1]=4 102 B11R1.7 CC(C)(CN)C1=NC=CN=C1 OR55001 [0,1,1,0,0,0|1,0,0]=3 103 B11R1.12 CCB(CC)C1=CC=CN=C1 OR315000 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.16 CCCC(N)C1=CN=CC=C1 OR470277 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.16 CN(CCO)C1=NC=CC=C1 OR17029 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.222 CCC(C)C1=C(Br)C=NC=N1 OR11574 [0,1,1,0,0,0|2,0,0]=4 107 B11R1.1 CCCCC1=CC=C(Br)C=C1 OR1467 [0,1,1,0,0,0|2,0,0]=4 108 B11R1.1 CCCCC1=CC=C(Cl)C=C1 OR3170 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.1 CCCCC1=CC=C(O)C=C1 OR22100 [0,1,1,0,0,0|2,0,0]=4 110 B11R1.17 CCCCC1=NC=NC=C1Br OR11577 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.17 OCCNC1=NC=CN=C1Cl OR27773 [0,1,1,0,0,0|2,0,0]=4 112 B11R1.24 CCCNC1=NC(Cl)=CN=C1 OR11962 [0,1,1,0,0,0|1,0,0]=3 113 B11R1.28 BrCCCCC1=CC=CC=C1 OR8178 [0,1,1,0,0,0|2,0,0]=4 114 B11R1.28 CCCCCC1=NC=CC=C1 OR27869 [0,1,1,0,0,0|1,0,0]=3 115 B11R1.28 CCCCNC1=CC=CC=C1 OR18275 [0,1,1,0,0,0|2,0,0]=4 116 B11R1.28 CNCCCC1=CC=CC=C1 OR12552 [0,1,1,0,0,0|2,0,0]=4 117 B11R1.28 NCCCCC1=CC=CC=C1 OR5084 [0,1,1,0,0,0|2,0,0]=4 118 B11R1.28 OCCCCC1=CC=CC=C1 OR0769 [0,1,1,0,0,0|2,0,0]=4 119 B11R1.91 CC(N)CCC1=CC=CC=C1 OR5082 [0,1,1,0,0,0|2,0,0]=4 120 B11R1.91 CN(C)CCC1=NC=CC=C1 OR28892 [0,1,1,0,0,0|2,0,0]=4 121 B11R1.91 C[C@@H](O)CCC1=CC=CC=C1 OR304056 [0,1,1,0,0,0|2,0,0]=4 122 B11R1.53 COC1=NC=CC=C1C(C)O OR302199 [0,1,1,0,0,0|2,0,0]=4 123 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 OR28929 [0,1,1,0,0,0|2,0,0]=4 124 B11R2.10 NC1CC2=CC=CC=C2C1 OR28935 [1,1,0,0,0,0|2,0,0]=4 125 B11R2.10 NC1CC2=CC=CC=C2C1 OR30439 [1,1,0,0,0,0|2,0,0]=4 126 B11R2.10 OC1CC2=CC=CC=C2C1 OR30507 [1,1,0,0,0,0|2,0,0]=4 127 B11R2.36 NC1=CC=C2CCCC2=C1 OR11116 [1,1,0,0,0,0|2,0,0]=4 128 B11R2.36 OC1=CC2=C(C=C1)CCC2 OR5401 [1,1,0,0,0,0|2,0,0]=4 129 B11R2.106 NC1=C2CCCC2=CC=C1 OR11115 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.57 BrCC1CCC2=CC=CC=C2O1 OR18107 [0,1,0,0,0,1|2,0,0]=4 131 B13R2.57 OCC1CCC2=CC=CC=C2O1 OR14501 [0,1,0,0,0,1|2,0,0]=4 132 B13R2.222 CC1(C)CCC2=CC=CC=C2O1 OR25413 [0,1,0,0,0,1|2,0,0]=4 133 B13R2.1613 NCC1NCCC2=C1C=CC=C2 OR13424 [0,1,0,0,0,1|2,0,0]=4 134 B11R2.239 C1=CC=C(C2CNC2)N=C1 OR303854 [0,0,1,1,0,0|2,0,0]=4 135 B11R2.20 C1=CC2=C(CCCC2)N=C1 OR350369 [0,0,1,1,0,0|1,0,0]=3 136 B11R2.20 C1=NC=C2CNCCC2=C1 OR313062 [0,0,1,1,0,0|2,0,0]=4 137 B11R2.55 NC1=NC=CN=C1C2CC2 OR300238 [0,0,1,1,0,0|1,0,0]=3 138 B9R1.41 CC(C)C1=CNN=C1N OR305561 [0,0,1,0,1,0|2,0,0]=4 139 B9R1.41 CC(C)N1C=CN=C1Cl OR17928 [0,0,1,0,1,0|2,0,0]=4 140 B9R2.3 C1=CN2CCCC2=N1 OR42179 [1,0,0,0,1,0|1,0,0]=3 141 B9R2.3 C1=CN2CCNC2=N1 OR306494 [1,0,0,0,1,0|2,0,0]=4