0 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.13 CC1=CC=C(C(C)C)CC1 T7909 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.13 CC1=CCC(C(C)C)=CC1 TN2031 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 T8289 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.13 O=C(O)C1=NC=C(O)N=C1 T10171 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|0,0,0]=1 18 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|0,0,2]=3 20 B9R1.6 N=C(N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 NC(=O)c1cnccn1 T1426 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 NC(=S)C1=CC=NC=C1 T1365 [1,0,0,0,0,0|2,1,0]=4 27 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.6 O=C(O)c1ccncc1 Fr13756 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.6 O=C(O)c1cnccn1 T0569 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.6 O=C([O-])c1ccccn1 T4575 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.3 NCc1ccc(C(=O)O)cc1 T1252 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.3 O=Cc1ccc(C(=O)O)cc1 T1691 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.19 Nc1ccc(S(N)(=O)=O)cc1 T0123 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 T4S1990 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.21 CN1C=C(C(N)=O)C=CC1=O T8150 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.21 Cc1cc(C(=O)O)ccc1O T5298 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.21 Cc1cnc(C(=O)O)c[n+]1[O-] T1162 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.21 Cn1cc(C(=O)O)ccc1=O T6981 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.21 Nc1cc(C(=O)O)ccc1O T4770 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 T7454 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|1,0,2]=4 53 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|0,0,0]=1 56 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.166 Nc1ccc(C(=O)[O-])c(O)c1 T0020 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,0,0,0,0,1|1,0,0]=2 63 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,0,0,0,0,1|1,0,0]=2 64 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,0,0,0,0,1|2,0,0]=3 65 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [0,0,0,0,0,1|2,0,1]=4 66 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 T19475 [0,0,0,0,0,1|2,0,1]=4 67 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 68 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,2]=4 69 B8R1.3 Cc1cnc(C)cn1 T4801 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.1 NCCc1ccc(O)cc1 T3095 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,1,0,0,0,0|0,0,0]=2 76 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [1,1,0,0,0,0|0,0,1]=3 78 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.15 COC(=O)c1cccnc1 T5562 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,2]=4 81 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.15 NNC(=O)c1cccnc1 T0664 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.15 NNC(=O)c1ccncc1 T0972 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|0,0,2]=4 85 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 T6781 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.61 Cc1ccccc1C(=O)O T8068 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.61 O=C(O)c1ncccc1O T5986 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.61 O=C([O-])c1ccccc1O T0335 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.31 O=C(O)c1ccc(CO)o1 T5278 [0,1,0,0,1,0|2,0,0]=4 103 B12R1.4 COc1ccc(CC(=O)O)cc1 T5590 [0,1,0,0,0,1|1,0,0]=3 104 B12R1.19 CC(=O)NC1=CC(O)=C(O)C=C1 T19175 [0,1,0,0,0,1|1,0,0]=3 105 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 T21102 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 T4785 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 T5263 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,0,1|1,0,0]=3 110 B12R1.106 CC1=CC=C(OS(=O)(=O)[O-])C=C1 T19498 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.5 COc1ccc(C(=O)CBr)cc1 T7541 [0,2,0,0,0,0|0,0,0]=2 112 B12R1.6 NCc1ccc(S(N)(=O)=O)cc1 T1026 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.6 NCc1ccc(S(N)(=O)=O)cc1 T21258 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.6 NCc1ccc(S(N)(=O)=O)cc1 T8122 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 T10112 [0,2,0,0,0,0|0,0,0]=2 116 B12R1.48 COc1ccc(C(=O)O)cc1O T5767 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.256 O=C(O)c1ccc(C(=O)O)cc1 T8031 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.452 COc1ccc(C(=O)O)c(O)c1 T2A2428 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|0,0,0]=2 120 B12R1.9 Cc1ccc(S(=O)(=O)[N-]Cl)cc1 T0669 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.56 COc1cc(C(=O)O)ccc1O T9115 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.56 COc1cc(C(C)=O)ccc1O T6391 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O T4088 [0,2,0,0,0,0|1,0,1]=4 124 B12R1.367 COC(=O)c1ccc(O)c(O)c1 T1368 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.367 O=C(NO)c1ccc(O)c(O)c1 T7525 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.893 O=C(O)c1ccc(O)c(O)c1O T8023 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.1005 Cc1c(O)cc(C(=O)O)cc1O TN1239 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.1005 O=C(O)c1cc(I)c(I)c(I)c1 T8618 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.1005 O=C(O)c1cc(O)c(O)c(O)c1 T0877 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 T6782 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.1000 CC(=O)C1=C([O-])C=C(C)OC1=O T22427 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.1000 CC(=O)C1C(=O)C=C(C)OC1=O T0899 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.1000 Cc1cc(O)cc(O)c1C(=O)O T2839 [0,2,0,0,0,0|2,0,0]=4 138 B12R2.606 O=c1oc2cc(O)ccc2s1 T0515 [0,0,0,1,0,1|2,0,0]=4 139 B12R2.612 O=c1nsc2cc(F)ccc12 T5601 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [1,0,0,0,1,0|1,0,0]=3 141 B8R1.7 O=C(O)c1ccco1 T5544 [1,0,0,0,1,0|2,0,0]=4 142 B8R1.7 O=C(O)c1ccoc1 T5277 [1,0,0,0,1,0|2,0,0]=4 143 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,1|0,0,0]=2 144 B10R1.18 O=C(O)Cc1cccnc1 T1366 [1,0,0,0,0,1|2,0,0]=4 145 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,0,0,0,0,2|1,0,0]=3 146 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,0,0,0,0,2|2,0,0]=4 147 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [0,0,0,0,0,2|2,0,0]=4 148 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [0,0,0,0,0,2|2,0,0]=4