0 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 COC(=O)c1cccnc1 T5562 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 N=C(NO)c1ccccn1 T20580 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.15 NCC(O)c1ccccc1 T4873 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.15 NNC(=O)c1ccncc1 T0972 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 OCC(O)c1ccccc1 T1346 [0,0,0,0,0,0|1,0,2]=3 9 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|0,0,2]=3 12 B9R1.6 N=C(N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 NC(=O)c1cnccn1 T1426 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.6 NC(=S)C1=CC=NC=C1 T1365 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.6 O=C(O)c1ccncc1 Fr13756 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 O=C(O)c1cnccn1 T0569 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.6 O=C([O-])c1ccccn1 T4575 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 NCCC1=NC=CC=C1 T22501 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|1,0,1]=3 28 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [0,1,0,0,0,0|0,0,0]=1 33 B11R1.16 O=C(NCO)c1cccnc1 T7869 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,0|0,0,0]=1 35 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.36 C=C(C(=O)O)c1ccccc1 T0629 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.36 O=C(O)C(=O)c1ccccc1 T8025 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.222 COC(=O)C1=NC=CN=C1N T22363 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,0|1,0,0]=2 45 B11R2.1 O=C1CCc2ccccc21 T0564 [0,0,0,1,0,0|0,0,0]=1 46 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|2,0,1]=4 47 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.11 COC(=O)c1ccco1 T8022 [0,0,0,0,1,0|2,0,0]=3 49 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 51 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 T6781 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.61 Cc1ccccc1C(=O)O T8068 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.61 O=C(O)c1ncccc1O T5986 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.61 O=C([O-])c1ccccc1O T0335 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.1 NCCc1ccc(O)cc1 T3095 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.10 NCCC1=CC(O)=CC=C1 T11937L [1,1,0,0,0,0|1,0,1]=4 84 B10R1.17 CNCCc1ccccn1 T0246 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.17 CNCCc1ccccn1 T0246L [1,1,0,0,0,0|1,0,1]=4 86 B10R1.17 CNCCc1ccccn1 T4195 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [1,1,0,0,0,0|0,0,2]=4 89 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [1,1,0,0,0,0|0,0,2]=4 90 B10R1.17 OCCCC1=CC=CC=C1 T3754 [1,1,0,0,0,0|0,0,1]=3 91 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,1,0,0,0,0|0,0,1]=3 92 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.43 O=C(O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,0,1|1,0,1]=4 94 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 T4891 [0,1,0,0,0,1|1,0,1]=4 95 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,0,1|1,0,0]=3 96 B12R1.10 CC[N+](C)(C)c1cccc(O)c1 T5855 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.478 CCC(C(=O)O)c1ccccc1 T0631 [0,2,0,0,0,0|0,0,1]=3 98 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|0,0,0]=2 99 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 T6782 [0,2,0,0,0,0|0,0,0]=2 100 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,2,0,0,0,0|0,0,0]=2 101 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,2,0,0,0,0|0,0,0]=2 102 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,2,0,0,0,0|0,0,2]=4 103 B12R1.16 CNCC(O)c1ccc(O)cc1 T6688 [0,2,0,0,0,0|0,0,2]=4 104 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [0,2,0,0,0,0|0,0,2]=4 105 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,2,0,0,0,0|0,0,2]=4 106 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [0,2,0,0,0,0|0,0,0]=2 107 B12R1.5 COc1ccc(C(=O)CBr)cc1 T7541 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.367 COC(=O)c1ccc(O)c(O)c1 T1368 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.367 O=C(NO)c1ccc(O)c(O)c1 T7525 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279 [0,2,0,0,0,0|0,0,2]=4 111 B12R1.358 COC(=O)c1cc(O)cc(O)c1 T1355 [0,2,0,0,0,0|1,0,0]=3 112 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [1,0,0,1,0,0|1,0,0]=3 113 B12R2.18 CC1C(=O)Nc2ccccc21 T0538 [0,0,0,1,0,1|0,0,0]=2 114 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,0,0,1,0,1|1,0,1]=4 115 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,1|0,0,0]=2 116 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|0,0,0]=2 117 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,1|0,0,2]=4 118 B12R2.1 O=Cc1coc2ccccc12 T7973 [0,1,0,1,0,0|1,0,1]=4 119 B12R2.2 c1cncc(C2=NCCC2)c1 T7671 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.612 O=c1nsc2cc(F)ccc12 T5601 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.7 O=C(O)c1ccco1 T5544 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.7 O=C(O)c1ccoc1 T5277 [1,0,0,0,1,0|2,0,0]=4 123 B12R1.27 COC(=O)\C=C\c1ccccc1 T5552 [0,0,0,0,0,2|1,0,0]=3