0 B12R2.32 NNc1nc2ccccc2s1 T20513 [0,0,0,0,0,0|3,1,0]=4 1 B11R2.10 Nc1nc2ccccc2s1 T1347 [1,0,0,0,0,0|2,1,0]=4 2 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [1,0,0,0,0,0|1,0,1]=3 3 B11R2.10 O=c1[nH]c2ccccc2[nH]1 T0662 [1,0,0,0,0,0|2,0,0]=3 4 B11R2.10 O=c1[nH]c2ccccc2o1 T5572 [1,0,0,0,0,0|1,0,0]=2 5 B11R2.10 Sc1nc2ccccc2s1 T19856 [1,0,0,0,0,0|1,2,0]=4 6 B11R2.10 [S-]c1nc2ccccc2[nH]1 T21238 [1,0,0,0,0,0|2,1,0]=4 7 B13R2.45 N/C=C1\Cc2ccccc2C1=O T31576 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.17 Oc1ccccc1/C=C/C=O TN2857 [0,0,1,0,0,0|0,0,0]=1 9 B11R1.17 Oc1ccccc1C=CC=O TN6938 [0,0,1,0,0,0|0,0,0]=1 10 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,0,1,0,0,0|1,0,0]=2 11 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [0,0,1,0,0,0|2,0,1]=4 12 B13R2.57 C=Cc1ccc2ncccc2c1 T50059 [0,0,0,0,0,1|3,0,0]=4 13 B13R2.57 COc1ccc2ccccc2c1 T0573 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.57 N#Cc1ccc2ccccc2c1 T20261 [0,0,0,0,0,1|2,0,1]=4 15 B10R1.4 O/N=C/c1ccccc1O T20346 [1,0,1,0,0,0|1,0,1]=4 16 B10R1.4 Oc1ccccc1CC=C T20472 [1,0,1,0,0,0|0,0,1]=3 17 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [1,0,1,0,0,0|0,0,0]=2 18 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [1,0,1,0,0,0|0,0,0]=2 19 B10R1.17 O=CCCc1ccccc1 T20312 [1,0,1,0,0,0|0,0,2]=4 20 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,0,1,0,0,0|0,0,2]=4 21 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,0,1,0,0,0|0,0,2]=4 22 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,0,1,0,0,0|1,0,1]=4 23 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,1,0,0,0|0,0,1]=3 24 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,0,1,0,0,0|1,0,1]=4 25 B10R2.7 C1Cc2ccccc2O1 Fr14127 [2,0,0,0,0,0|0,0,2]=4 26 B10R2.7 c1[nH]nc2ccccc12 T2192 [2,0,0,0,0,0|2,0,0]=4 27 B10R2.7 c1cc2ccccc2[nH]1 T4799 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.121 COc1ccccc1C=CC=O T7452 [0,1,1,0,0,0|0,0,0]=2 29 B12R1.125 OC(=O)/C=C/c1ccccc1O T7991 [0,1,1,0,0,0|0,0,0]=2 30 B12R1.125 OC(=O)C=Cc1ccccc1Cl TN6659 [0,1,1,0,0,0|1,0,0]=3 31 B12R1.125 OC(=O)CCc1ccccc1O T4892 [0,1,1,0,0,0|0,0,2]=4 32 B12R1.43 C/C(=C\c1ccccc1)[N+]([O-])=O T29310 [0,1,1,0,0,0|2,0,0]=4 33 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [0,1,1,0,0,0|0,0,2]=4 34 B12R1.43 OC(=O)C(=O)Nc1ccccc1 T33837 [0,1,1,0,0,0|1,0,1]=4 35 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,1,1,0,0,0|0,0,2]=4 36 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,1,1,0,0,0|0,0,2]=4 37 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,1,1,0,0,0|0,0,2]=4 38 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [0,1,1,0,0,0|0,0,2]=4 39 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [1,1,0,0,0,0|1,0,1]=4 40 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [1,1,0,0,0,0|1,0,0]=3 41 B12R2.606 Clc1ccc2oc(=O)[nH]c2c1 T1650 [1,1,0,0,0,0|1,0,0]=3 42 B12R2.606 Clc1ccc2sc(=O)[nH]c2c1 T0577 [1,1,0,0,0,0|1,1,0]=4 43 B12R2.606 Nc1nc2cc(Cl)ccc2o1 T0922 [1,1,0,0,0,0|2,0,0]=4 44 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [1,1,0,0,0,0|1,0,1]=4 45 B12R2.606 Oc1ccc2sc(=O)oc2c1 T0515 [1,1,0,0,0,0|1,0,0]=3 46 B14R2.142 Oc1cccc2ccc(C=O)nc12 T2290 [0,1,0,0,0,1|1,0,0]=3 47 B14R2.781 CC(=O)c1ccc2ccccc2c1 T20587 [0,1,0,0,0,1|1,0,0]=3 48 B14R2.781 OC(=O)c1ccc2ccccc2n1 T4780 [0,1,0,0,0,1|1,0,0]=3 49 B12R2.24 Clc1ccc2ccccc2c1 T20317 [0,0,1,1,0,0|2,0,0]=4 50 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,1,1,0,0|0,0,2]=4 51 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,1,1,0,0|0,0,0]=2 52 B12R2.24 Oc1ccc2ccccc2c1 T0671 [0,0,1,1,0,0|1,0,1]=4 53 B12R2.1081 Brc1cccc2ccccc12 T29891 [0,0,1,1,0,0|2,0,0]=4 54 B12R2.1081 Fc1cccc2ccccc12 T0541 [0,0,1,1,0,0|2,0,0]=4 55 B12R2.1081 Oc1cccc2ccccc12 T10023 [0,0,1,1,0,0|1,0,0]=3 56 B12R2.1081 Oc1cccc2cccnc12 T0404 [0,0,1,1,0,0|2,0,0]=4 57 B12R2.1081 Oc1cccc2cccnc12 T7887 [0,0,1,1,0,0|2,0,0]=4 58 B12R2.1081 Oc1ccnc2ccccc12 T4272 [0,0,1,1,0,0|2,0,0]=4 59 B12R2.1081 Sc1cccc2ccccc12 T20404 [0,0,1,1,0,0|1,1,0]=4 60 B12R2.1 O=Cc1c[nH]c2ccccc12 T8105 [0,0,1,1,0,0|2,0,0]=4 61 B12R2.1 O=Cc1coc2ccccc12 T7973 [0,0,1,1,0,0|2,0,0]=4 62 B12R2.315 O=Cc1cccc2[nH]ccc12 TN6883 [0,0,1,1,0,0|2,0,0]=4 63 B10R1.15 C=CC(=O)c1ccccc1 T20607 [0,0,1,0,1,0|1,0,1]=4 64 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,0,1,0,1,0|0,0,1]=3 65 B10R1.15 OC(C=C)c1ccccc1 T50007 [0,0,1,0,1,0|1,0,1]=4