0 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 O=C(O)Cc1ccccc1 T4935 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,0,0,0,0,0|0,0,1]=2 5 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBP02607 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 BBP03215 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [0,1,0,0,0,0|0,0,0]=1 12 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,1,0|1,0,1]=3 13 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [0,0,0,0,1,0|1,0,0]=2 14 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [0,0,0,0,1,0|2,0,0]=3 15 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,0,0,0,1,0|2,0,0]=3 16 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [0,0,0,0,1,0|0,0,0]=1 17 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [0,0,0,0,1,0|1,0,0]=2 18 B9R1.6 O=C(O)c1ccccc1 T0833 [0,0,0,0,1,0|0,0,0]=1 19 B9R1.6 O=C(O)c1ccccn1 T4850 [0,0,0,0,1,0|1,0,0]=2 20 B9R1.6 O=C(O)c1cccnc1 T0879 [0,0,0,0,1,0|1,0,0]=2 21 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,0,0,0,0,1|1,0,0]=2 22 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,0,0,0,0,1|1,0,1]=3 23 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 BBP01257 [0,0,0,0,0,1|1,0,1]=3 24 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBP02940 [0,0,0,0,0,1|0,0,0]=1 25 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBP00136 [0,0,0,0,0,1|0,0,1]=2 26 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,0,0,0,0,1|0,0,1]=2 27 B8R1.2 NCC1=CC=CC=C1 BBP04286 [2,0,0,0,0,0|1,0,0]=3 28 B8R1.2 NCc1ccccc1 T4846 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 30 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,0]=2 31 B10R1.1 N#CCC1=CC=C(O)C=C1 BBP04442 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.1 NCCc1ccc(O)cc1 T3095 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.1 OCCC1=CC=C(O)C=C1 BBP01578 [1,1,0,0,0,0|0,0,1]=3 34 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|0,0,1]=3 35 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.17 O=C\C=C\C1=CC=CC=C1 BBP01535 [1,1,0,0,0,0|0,0,1]=3 37 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [1,1,0,0,0,0|0,0,1]=3 38 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [1,1,0,0,0,0|0,0,1]=3 39 B10R1.17 OC\C=C\C1=CC=CC=C1 BBP01097 [1,1,0,0,0,0|0,0,1]=3 40 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,1,0,0,0,0|0,0,1]=3 41 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|0,1,1]=4 42 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BBP00283 [0,1,0,0,1,0|1,0,0]=3 43 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,1,0,0,1,0|0,0,0]=2 44 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBP00210 [0,1,0,0,1,0|0,0,0]=2 45 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,1,0,0,1,0|0,0,0]=2 46 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,1,0,0,1,0|1,0,0]=3 47 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,1,0,0,1,0|1,0,0]=3 48 B10R1.61 O=C(O)c1ccccc1O T0649 [0,1,0,0,1,0|0,0,0]=2 49 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [0,1,0,0,1,0|1,0,0]=3 50 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [0,1,0,0,1,0|1,0,1]=4 51 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [0,1,0,0,1,0|0,0,0]=2 54 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBP04146 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,0,1|1,0,0]=3 56 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 BBP03225 [0,1,0,0,0,1|1,0,1]=4 57 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 BBP01811 [0,1,0,0,0,1|1,0,1]=4 58 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 BBP01524 [0,1,0,0,0,1|1,0,1]=4 59 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,1,0,0,0,1|0,0,0]=2 60 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBP00382 [0,1,0,0,0,1|0,0,1]=3 61 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [0,1,0,0,0,1|0,0,1]=3 62 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [0,1,0,0,0,1|0,0,1]=3 63 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,1,0,0,0,1|0,0,0]=2 64 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [0,1,0,0,0,1|0,0,0]=2 65 B12R1.125 O=C(O)CCc1ccccc1O T4892 [0,1,0,0,0,1|0,0,0]=2 66 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [0,2,0,0,0,0|0,0,0]=2 67 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 BBP04425 [0,2,0,0,0,0|0,0,0]=2 68 B12R1.233 O=C(O)CC1=C(O)C=C(O)C=C1 BBP01536 [0,2,0,0,0,0|0,0,0]=2 69 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 TCS2070 [0,2,0,0,0,0|0,0,0]=2 70 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BBP03981 [0,0,0,1,0,1|0,0,1]=3 71 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|0,0,0]=2 72 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,1|0,0,1]=3 73 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.7 O=C(O)C1=CC=CO1 BBP02308 [0,0,0,0,2,0|1,0,0]=3 75 B8R1.7 O=C(O)C1=COC=C1 BBP04181 [0,0,0,0,2,0|1,0,0]=3