0 B8R1.3 Cc1cnc(C)cn1 T4801 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 Clc1ccc(Cl)cc1 T7431 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 Nc1ccc(Cl)nc1 T7234 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 O=c1ccc(=O)[nH][nH]1 T20781 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.3 Cc1ccccn1 T21323 [1,0,0,0,0,0|2,0,0]=3 5 B7R1.3 Clc1cnccn1 T2193 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.3 O=c1cccc[nH]1 T4805 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.1 CCc1ccc(O)cc1 T5883 [0,1,0,0,0,0|1,0,0]=2 8 B9R1.1 COc1ccc(F)cc1 T0528 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.1 COc1ccc(O)cc1 T0501 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.1 NCc1ccc(O)cc1 T21095 [0,1,0,0,0,0|1,0,0]=2 11 B9R1.1 NNc1ccc(Cl)cc1 T3167 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.1 OCc1ccc(O)cc1 T3752 [0,1,0,0,0,0|0,0,0]=1 13 B9R1.1 OCc1ccc(cn1)O T40502 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.1 Oc1ccc(C=C)cc1 T13509 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [0,1,0,0,0,0|0,0,1]=2 16 B9R1.69 Cc1cc(O)ccc1N T21284 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.69 Cc1cc(ccc1O)O TN4871 [0,1,0,0,0,0|0,0,0]=1 18 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.69 Cc1cnc(O)c(C)n1 T31572 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.69 Nc1ccc(F)cc1O T1370 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [0,1,0,0,0,0|1,0,0]=2 25 B9R1.69 Oc1cc(=O)[nH]cc1Cl T0987 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.6 NC(=O)/C=C\C(O)=O T4905 [0,0,1,0,0,0|2,0,1]=4 27 B7R0.6 OC(=O)/C=C/C(O)=O T2769 [0,0,1,0,0,0|2,0,0]=3 28 B7R0.6 OC(=O)/C=C/C(O)=O T3763 [0,0,1,0,0,0|2,0,0]=3 29 B7R0.6 OC(=O)/C=C\C(O)=O T4913 [0,0,1,0,0,0|2,0,0]=3 30 B7R1.2 C=C1OC(=O)C=C1 TN2420 [0,0,0,0,1,0|2,0,1]=4 31 B7R1.2 O=C1NC(=O)C=C1 T4820 [0,0,0,0,1,0|1,0,2]=4 32 B6R0.4 OC/C=C/C(O)=O T23473 [1,0,1,0,0,0|1,0,1]=4 33 B6R1.1 C1=CC=CC=C1 T12445 [2,0,0,0,0,0|0,0,0]=2 34 B6R1.1 c1cncnc1 T4809 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.23 C/C(=C/C(O)=O)C(O)=O T4525 [0,1,1,0,0,0|2,0,0]=4 36 B8R0.23 CC(=CC(=O)O)C(=O)O T20880 [0,1,1,0,0,0|2,0,0]=4 37 B8R1.2 COc1cnccn1 TN6755 [1,1,0,0,0,0|2,0,0]=4 38 B8R1.2 NCc1ccccc1 TN3497 [1,1,0,0,0,0|1,0,0]=3 39 B8R1.2 NCc1cccnc1 T1581 [1,1,0,0,0,0|2,0,0]=4 40 B8R1.2 O=Cc1ccccc1 TWO2659 [1,1,0,0,0,0|0,0,1]=3 41 B8R1.2 OCc1ccccc1 T0732 [1,1,0,0,0,0|0,0,0]=2 42 B8R1.2 OCc1ccccn1 T1112 [1,1,0,0,0,0|1,0,0]=3 43 B8R1.2 OCc1cccnc1 T1299 [1,1,0,0,0,0|1,0,0]=3 44 B8R1.4 Cc1cccc(O)c1 T33229 [1,1,0,0,0,0|0,0,0]=2 45 B8R1.4 Cc1cccc([O-])c1 T33983 [1,1,0,0,0,0|0,0,1]=3 46 B8R1.4 Fc1cccc(Br)c1 T30352 [1,1,0,0,0,0|1,0,0]=3 47 B8R1.4 Fc1cccc(I)c1 T21183 [1,1,0,0,0,0|1,0,0]=3 48 B8R1.4 Fc1cccc(S)c1 T21187 [1,1,0,0,0,0|0,1,0]=3 49 B8R1.4 Ic1cccc(I)c1 T21145 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.4 Nc1ccnc(O)n1 T4832 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.4 Oc1cccc(I)c1 T21200 [1,1,0,0,0,0|0,0,0]=2 52 B8R1.4 Oc1cccc(O)n1 T4720 [1,1,0,0,0,0|1,0,0]=3 53 B8R1.4 Oc1ccnc(O)c1 T7963 [1,1,0,0,0,0|1,0,0]=3 54 B8R1.5 Cc1ncccc1O T5901 [1,1,0,0,0,0|1,0,0]=3 55 B8R1.5 Nc1ccccc1I T20285 [1,1,0,0,0,0|1,0,0]=3 56 B8R1.5 Nc1ccncc1N T4497 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.5 Nc1ccncc1N T4497L [1,1,0,0,0,0|2,0,0]=4 58 B8R1.5 Nc1ncccc1O T7923 [1,1,0,0,0,0|1,0,0]=3 59 B8R1.5 Oc1coccc1=O TL0015 [1,1,0,0,0,0|1,0,0]=3 60 B8R1.5 On1ccccc1=S T12593 [1,1,0,0,0,0|1,0,0]=3 61 B8R1.5 [O-]n1ccccc1=S T26004 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,2,0,0,0,0|1,0,0]=3 63 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,2,0,0,0,0|1,0,0]=3 64 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,2,0,0,0,0|0,0,0]=2 65 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [0,2,0,0,0,0|1,0,0]=3 66 B10R1.1 c1cc(ccc1CCN)O T3095 [0,2,0,0,0,0|1,0,0]=3 67 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,2,0,0,0,0|0,0,1]=3 68 B10R1.3 COc1ccc(CO)cc1 T20309 [0,2,0,0,0,0|0,0,0]=2 69 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,2,0,0,0,0|1,0,1]=4 70 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,2,0,0,0,0|0,0,1]=3 71 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,2,0,0,0,0|2,0,0]=4 72 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,2,0,0,0,0|1,0,0]=3 73 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,2,0,0,0,0|0,0,1]=3 74 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,2,0,0,0,0|1,0,0]=3 75 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,2,0,0,0,0|1,0,1]=4 77 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,2,0,0,0,0|1,0,1]=4 78 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,2,0,0,0,0|0,0,0]=2 79 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.25 CCc1ccc(C)cc1O T29345 [0,2,0,0,0,0|2,0,0]=4 81 B10R1.25 CSc1ccc(C)cc1O T33232 [0,2,0,0,0,0|1,1,0]=4 82 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [0,2,0,0,0,0|1,0,1]=4 83 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [0,2,0,0,0,0|0,0,1]=3 84 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.176 OCc1cc(=O)c(O)co1 T5889 [0,2,0,0,0,0|1,0,0]=3 86 B10R1.176 Oc1ccc(C=O)cc1O T3018 [0,2,0,0,0,0|0,0,1]=3 87 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [0,2,0,0,0,0|0,0,2]=4 88 B10R1.22 Cc1cc(O)cc(C)c1Cl T0898 [0,2,0,0,0,0|1,0,0]=3 89 B10R1.22 Oc1c(I)cc(I)cc1I T8628 [0,2,0,0,0,0|1,0,0]=3 90 B10R1.30 CCc1nc(C)ccc1O T7875 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.30 CCc1nc(C)ccc1O T8624 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.30 COc1cc(C)ccc1O T20446 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.30 COc1cc(N)ccc1O T21072 [0,2,0,0,0,0|1,0,0]=3 94 B10R1.118 Cc1cc(O)c(Cl)cc1Cl T29426 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.118 Nc1cc(N)c(N)cc1N T7119 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.118 Oc1cc(Cl)c(Cl)cc1Cl T34935 [0,2,0,0,0,0|1,0,0]=3 97 B10R1.118 Oc1cc(Cl)c(Cl)cc1O T40421 [0,2,0,0,0,0|1,0,0]=3 98 B10R1.119 Cc1c(Cl)ccc(O)c1Cl T33980 [0,2,0,0,0,0|1,0,0]=3 99 B6R1.2 C[c-]1cccc1 T20558 [1,0,0,0,1,0|1,0,1]=4