0 B10R1.15 NCC(O)c1ccccc1 T4873 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|0,0,2]=3 2 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BBP02463 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BBP00471 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 BBP03215 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.222 COC(=O)C1=C(O)C=CC=C1 BBP04331 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,0|0,0,0]=1 20 B8R1.2 NCC1=CC=CC=C1 BBP04286 [2,0,0,0,0,0|1,0,1]=4 21 B8R1.2 NCc1ccccc1 T4846 [2,0,0,0,0,0|1,0,1]=4 22 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 23 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,1]=3 24 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BBP00283 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [1,1,0,0,0,0|0,0,0]=2 26 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBP00210 [1,1,0,0,0,0|0,0,0]=2 27 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [1,1,0,0,0,0|0,0,0]=2 28 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|0,0,0]=2 30 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|0,0,0]=2 31 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.17 O=C\C=C\C1=CC=CC=C1 BBP01535 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.17 OC\C=C\C1=CC=CC=C1 BBP01097 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 BBP04425 [0,1,0,0,0,1|0,0,0]=2 43 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 BBP00244 [0,2,0,0,0,0|0,0,0]=2 44 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,2,0,0,0,0|0,0,0]=2 45 B12R1.16 O=C(CCO)C1=CC=C(O)C=C1 BBP05109 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 BBP04280 [0,2,0,0,0,0|0,0,0]=2 47 B12R1.367 COC(=O)c1ccc(O)c(O)c1 T1368 [0,2,0,0,0,0|0,0,0]=2 48 B12R1.3441 COC(=O)C1=C(O)C=CC=C1O BBP04357 [0,2,0,0,0,0|0,0,0]=2 49 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,0,0,1,0,1|2,0,0]=4 50 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BBP03981 [0,0,0,1,0,1|1,0,1]=4 51 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|1,0,0]=3 52 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,1|1,0,1]=4 53 B8R1.7 O=C(O)C1=CC=CO1 BBP02308 [1,0,0,0,1,0|1,0,0]=3 54 B8R1.7 O=C(O)C1=COC=C1 BBP04181 [1,0,0,0,1,0|1,0,0]=3