0 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 Cc1cc(n[nH]1)C(O)=O T7476 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 Cc1ncc([nH]1)[N+]([O-])=O T0638 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 OC(=O)[C@@H]1CSC(=O)N1 T5365 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.35 OC1CCC(=C1)C(O)=O T24146 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.1 Cc1ccc(C=O)s1 T19154 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.7 CC(=O)[c-]1cccc1 T20583 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.7 CC(=O)c1cccs1 T29331 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 OC(=O)c1ccco1 T5544 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.7 OC(=O)c1ccoc1 T5277 [1,0,0,0,0,0|0,1,0]=2 13 B8R1.7 OC(=O)c1cnsc1 T4675 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.7 OC(=O)c1nc[nH]n1 T1371 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.31 OCc1ccc(o1)C(O)=O T5278 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.59 CC(=O)c1cc(C)oc1C T20546 [0,1,0,0,0,0|1,1,0]=3 17 B8R0.9 COC(=O)/C=C/C(O)=O T12095 [0,0,1,0,0,0|1,1,1]=4 18 B8R0.23 C/C(=C/C(O)=O)C(O)=O T4525 [0,0,1,0,0,0|1,1,1]=4 19 B8R0.23 CC(=CC(=O)O)C(=O)O T20880 [0,0,1,0,0,0|1,1,1]=4 20 B8R0.23 OC(=O)CC(=C)C(O)=O T4837 [0,0,1,0,0,0|1,1,1]=4 21 B8R0.28 NC(=N)S/C=C\C(O)=O T23556 [0,0,1,0,0,0|2,0,0]=3 22 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,0,0,0,0,1|2,0,0]=3 23 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,0,0,0,0,1|1,0,0]=2 25 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,0,0,0,0,1|3,0,0]=4 27 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,0,0,0,0,1|2,0,0]=3 28 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,0,0,0,0,1|2,0,0]=3 29 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,0,0,0,0,1|2,0,0]=3 30 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,0,0,0,0,1|1,1,0]=3 31 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,0,0,0,0,1|2,0,0]=3 32 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.54 Nc1nc(CC(O)=O)cs1 T7935 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.113 CN1CC(C(O)=O)=CCC1 TN1398 [0,0,0,0,0,1|2,0,1]=4 37 B10R1.113 CN1CCC=C(C1)C(O)=O T5799 [0,0,0,0,0,1|2,0,1]=4 38 B10R1.113 C[n+]1cccc(c1)C(N)=O T4853 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.113 C[n+]1cccc(c1)C(O)=O T2927 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.113 C[n+]1cccc(c1)C([O-])=O T2887 [0,0,0,0,0,1|2,0,1]=4 41 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [0,0,0,0,0,1|2,0,0]=3 42 B10R1.113 Fc1cccc(c1)C(Cl)=O T21186 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [0,0,0,0,0,1|3,0,0]=4 45 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.113 OC(=O)c1ccc[n+]([O-])c1 T0067 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [0,0,0,0,0,1|2,0,0]=3 48 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [0,0,0,0,0,1|2,0,1]=4 49 B10R1.113 [O-]C(=O)c1cccc(I)c1 T30402 [0,0,0,0,0,1|2,0,1]=4 50 B7R0.4 C/C=C/C=C/C(O)=O T8019 [1,0,1,0,0,0|1,0,0]=3 51 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [1,0,1,0,0,0|1,0,1]=4 52 B7R0.5 CC/C=C(\C)C(O)=O T8052 [1,0,1,0,0,0|0,0,2]=4 53 B7R0.6 NC(=O)/C=C\C(O)=O T4905 [1,0,1,0,0,0|1,1,0]=4 54 B7R0.6 OC(=O)/C=C/C(O)=O T2769 [1,0,1,0,0,0|1,1,0]=4 55 B7R0.6 OC(=O)/C=C/C(O)=O T3763 [1,0,1,0,0,0|1,1,0]=4 56 B7R0.6 OC(=O)/C=C\C(O)=O T4913 [1,0,1,0,0,0|1,1,0]=4 57 B9R1.21 OCc1ccc(C=O)o1 T2943 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.22 Cc1cc(C#N)c(N)s1 T1376 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.11 COC(=O)c1ccco1 T8022 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [0,1,0,0,0,1|1,0,0]=3 62 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [0,1,0,0,0,1|1,0,0]=3 64 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [0,1,0,0,0,1|1,0,1]=4 65 B11R1.19 Cc1ccc(cc1)S(O)(=O)=O T19499 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.21 Cc1cc(ccc1O)C(O)=O T5298 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [0,1,0,0,0,1|1,0,0]=3 68 B11R1.21 Cc1cnc(c[n+]1[O-])C(O)=O T1162 [0,1,0,0,0,1|1,0,0]=3 69 B11R1.21 Cn1cc(ccc1=O)C(O)=O T6981 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.21 Nc1cc(ccc1O)C(O)=O T4770 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,1,0,0,0,1|1,0,0]=3 77 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.166 OC(=O)c1cnc(O)nc1O T4711 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.23 COC(=O)c1cccc(O)c1 T33331 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,1|1,0,0]=3 84 B11R1.74 OC(=O)c1c[14c](=O)[nH]c(=O)[nH]1 T12325 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T0746 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T21194 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T27963 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T31267 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T5078 [0,1,0,0,0,1|2,0,0]=4 90 B11R1.74 OC(=O)c1cc(O)cc(Cl)c1 T7482 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.74 OC(=O)c1cc(O)cc(O)c1 T0570 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.74 OC(=O)c1cc(O)nc(O)c1 T20863 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.159 Cc1cccc(C(O)=O)c1O T1423 [0,1,0,0,0,1|1,0,0]=3 94 B11R1.159 Nc1c(O)cccc1C(O)=O T4707 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.159 OC(=O)c1cccc(O)c1O T4810 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.167 Nc1ccc(Cl)cc1C(O)=O T0567 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.167 Nc1ccc(O)c(c1)C(O)=O T0646 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.167 OC(=O)c1cc(O)ccc1O T2857 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.266 COc1cccc(c1)C(N)=O T7439 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.266 COc1cccc(c1)C(O)=O T5982 [0,1,0,0,0,1|1,0,0]=3 101 B9R1.6 OC(=O)c1ccccc1 T0833 [0,0,1,1,0,0|1,0,1]=4 102 B9R1.6 OC(=O)c1cccnc1 T0879 [0,0,1,1,0,0|1,0,1]=4 103 B9R1.2 Cc1cccc(c1)[I]=O T32169 [1,0,0,0,0,1|2,0,0]=4 104 B9R1.2 Fc1cccc(C=O)c1 T21180 [1,0,0,0,0,1|2,0,0]=4 105 B9R1.2 Oc1cccc(C=O)c1 T4778 [1,0,0,0,0,1|2,0,0]=4 106 B9R1.13 OC(=O)Cc1c[nH]cn1 T13735 [1,0,0,0,0,1|2,0,0]=4 107 B9R1.13 OC(=O)Cc1cnc[nH]1 T4753 [1,0,0,0,0,1|2,0,0]=4 108 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,0,0,0,0,2|2,0,0]=4 109 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,0,0,0,0,2|2,0,0]=4 110 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [0,0,0,0,0,2|2,0,0]=4 111 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [0,0,0,0,0,2|1,0,0]=3 112 B11R1.157 OC(=O)Cc1cccc(O)c1 T4829 [0,0,0,0,0,2|2,0,0]=4