0 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 COC(=O)C1=CCCNC1 T5805 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.15 COC(=O)c1cccnc1 T5562 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.15 N=C(NO)c1ccccn1 T20580 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.15 NCC(O)c1ccccc1 T4873 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 NNC(=O)c1ccncc1 T0972 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 OCC(O)c1ccccc1 T1346 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|0,0,0]=1 11 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|0,0,2]=3 13 B9R1.6 N=C(N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 NC(=O)c1cnccn1 T1426 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.6 NC(=S)C1=CC=NC=C1 T1365 [1,0,0,0,0,0|2,1,0]=4 20 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|0,0,0]=1 21 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.6 O=C(O)c1ccncc1 Fr13756 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.6 O=C(O)c1cnccn1 T0569 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,0|0,0,1]=2 26 B9R1.6 O=C([O-])c1ccccn1 T4575 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.16 O=C(NCO)c1cccnc1 T7869 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.36 C=C(C(=O)O)c1ccccc1 T0629 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.36 O=C(O)C(=O)c1ccccc1 T8025 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.222 COC(=O)C1=NC=CN=C1N T22363 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,0|0,0,0]=1 43 B11R2.1 O=C1CCc2ccccc21 T0564 [0,0,0,1,0,0|1,0,0]=2 44 B11R2.1 [O-][n+]1onc2ccccc21 T7977 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.11 COC(=O)c1ccco1 T8022 [0,0,0,0,1,0|1,0,0]=2 46 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 47 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,1]=3 48 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,1]=4 49 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [1,1,0,0,0,0|0,0,0]=2 52 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [1,1,0,0,0,0|0,0,0]=2 54 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [1,1,0,0,0,0|0,0,0]=2 56 B10R1.13 O=C(O)C1=NC=C(O)N=C1 T10171 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 T6781 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.61 Cc1ccccc1C(=O)O T8068 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.61 O=C(O)c1ncccc1O T5986 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.61 O=C([O-])c1ccccc1O T0335 [1,1,0,0,0,0|0,0,1]=3 67 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [1,1,0,0,0,0|0,0,1]=3 68 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|0,0,0]=2 76 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.17 OCCCC1=CC=CC=C1 T3754 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.43 O=C(O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 T4891 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,0,1|0,0,0]=2 84 B12R1.478 CCC(C(=O)O)c1ccccc1 T0631 [0,2,0,0,0,0|1,0,1]=4 85 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 T6782 [0,2,0,0,0,0|0,0,0]=2 87 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,2,0,0,0,0|0,0,0]=2 88 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,2,0,0,0,0|0,0,0]=2 89 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [0,2,0,0,0,0|0,0,0]=2 90 B12R1.5 COc1ccc(C(=O)CBr)cc1 T7541 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.367 COC(=O)c1ccc(O)c(O)c1 T1368 [0,2,0,0,0,0|0,0,0]=2 92 B12R1.367 O=C(NO)c1ccc(O)c(O)c1 T7525 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.358 COC(=O)c1cc(O)cc(O)c1 T1355 [0,2,0,0,0,0|0,0,0]=2 94 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.18 CC1C(=O)Nc2ccccc21 T0538 [0,0,0,1,0,1|1,0,0]=3 96 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,0,0,1,0,1|2,0,0]=4 97 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,1|1,0,0]=3 98 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|1,0,0]=3 99 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,1|1,0,1]=4 100 B12R2.1 O=Cc1coc2ccccc12 T7973 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.612 O=c1nsc2cc(F)ccc12 T5601 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.612 OB1OCc2cc(Cl)ccc21 T4040 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.612 OB1OCc2cc(F)ccc21 T3349 [0,1,0,1,0,0|1,0,1]=4 104 B8R1.7 O=C(O)c1ccco1 T5544 [1,0,0,0,1,0|1,0,0]=3 105 B8R1.7 O=C(O)c1ccoc1 T5277 [1,0,0,0,1,0|1,0,0]=3 106 B8R1.7 O=C(O)c1cnsc1 T4675 [1,0,0,0,1,0|2,0,0]=4 107 B12R1.27 COC(=O)\C=C\c1ccccc1 T5552 [0,0,0,0,0,2|0,0,0]=2