0 B8R1.4 CC1CC=CC(=O)O1 TN3177 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.4 Cc1cccc(O)c1 T33229 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.4 Cc1cccc([O-])c1 T33983 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.4 Fc1cccc(Br)c1 T30352 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.4 Fc1cccc(I)c1 T21183 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.4 Fc1cccc(S)c1 T21187 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.4 Ic1cccc(I)c1 T21145 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.4 Nc1ccnc(O)n1 T4832 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.4 O=c1cc[nH]c(=O)[nH]1 T0069 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.4 O=c1cc[nH]c(=[Se])[nH]1 T19103 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.4 Oc1cccc(I)c1 T21200 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.4 Oc1cccc(O)n1 T4720 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.4 Oc1ccnc(O)c1 T7963 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.4 Sc1nccc(=O)[nH]1 T1310 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 Cc1ccccn1 T21323 [1,0,0,0,0,0|0,0,0]=1 15 B7R1.3 Clc1cnccn1 T2193 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.3 Nc1nccnn1 T8826 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 O=c1cccc[nH]1 T4805 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.2 CCc1cccc(N)c1 T21169 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.2 CCc1cccc(O)c1 T21170 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.2 CNc1cccc(C)c1 T0557 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.2 COc1cccc(Br)c1 T21218 [0,1,0,0,0,0|2,0,0]=3 22 B9R1.2 COc1cccc(C)c1 T21278 [0,1,0,0,0,0|1,0,0]=2 23 B9R1.2 COc1cccc(O)c1 T20294 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.2 Cc1cccc(c1)[I]=O T32169 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.2 ClCc1cccc(Cl)c1 T21091 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.2 Fc1cccc(C=O)c1 T21180 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.2 Fc1cccc(CCl)c1 T21179 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.2 NCc1ccnc(Cl)c1 T7185 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.2 OCc1ccc[n+]([O-])c1 T0257 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.2 OCc1cccc(I)c1 T21214 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.2 OCc1cccc(O)c1 T4760 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.2 Oc1cccc(C=O)c1 T4778 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.3 Cc1cccc(O)c1O T3742 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.3 Cc1occc(=O)c1O T5545 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.3 Cc1occc(=O)c1[O-] T27398 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.3 Oc1cccc(O)c1O T3749 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.34 Cc1cc(=O)[nH]c(=S)[nH]1 T0304 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.34 Cc1cc(O)cc(O)c1 T3748 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.34 Nc1cc(O)nc(N)n1 T7461 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.69 Cc1c[nH]c(=O)nc1N T5270 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.69 Cc1cc(O)ccc1N T21284 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.69 Cc1cc(ccc1O)O TN4871 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [0,1,0,0,0,0|1,0,0]=2 44 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.69 Cc1cnc(O)c(C)n1 T31572 [0,1,0,0,0,0|1,0,0]=2 48 B9R1.69 Cn1ccc(N)nc1=O T10019 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.69 Nc1ccc(F)cc1O T1370 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.69 Nc1nc(=O)[nH]cc1F T0986 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.4 C/C=C/C=C/C(O)=O T8019 [0,0,1,0,0,0|2,0,0]=3 53 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [0,0,1,0,0,0|2,0,0]=3 54 B7R1.2 C=C1OC(=O)C=C1 TN2420 [0,0,0,0,1,0|2,0,1]=4 55 B7R1.2 CC1=CCC(=O)O1 T7995 [0,0,0,0,1,0|2,0,1]=4 56 B7R1.2 Cn1ccc(N)n1 T3295 [0,0,0,0,1,0|2,0,0]=3 57 B7R1.2 O=C1NC(=O)C=C1 T4820 [0,0,0,0,1,0|2,0,1]=4 58 B7R1.4 Cn1ccnc1S T0840 [0,0,0,0,1,0|3,0,0]=4 59 B7R1.4 Cn1sccc1=O T19774 [0,0,0,0,1,0|3,0,0]=4 60 B7R1.4 Cn1sccc1=O T28029 [0,0,0,0,1,0|3,0,0]=4 61 B6R1.1 C1=CC=CC=C1 T12445 [2,0,0,0,0,0|1,0,0]=3 62 B6R1.1 c1cncnc1 T4809 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.2 COc1cnccn1 TN6755 [1,1,0,0,0,0|1,0,0]=3 64 B8R1.2 N#Cc1ncccn1 T7451 [1,1,0,0,0,0|1,0,1]=4 65 B8R1.2 NCc1ccccc1 TN3497 [1,1,0,0,0,0|1,0,0]=3 66 B8R1.2 NCc1cccnc1 T1581 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.2 O=Cc1ccccc1 TWO2659 [1,1,0,0,0,0|1,0,1]=4 68 B8R1.2 OCc1ccccc1 T0732 [1,1,0,0,0,0|1,0,0]=3 69 B8R1.2 OCc1ccccn1 T1112 [1,1,0,0,0,0|0,0,0]=2 70 B8R1.2 OCc1cccnc1 T1299 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.3 Cc1cnc(C)cn1 T4801 [1,1,0,0,0,0|1,0,0]=3 72 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,1,0,0,0,0|1,0,0]=3 74 B8R1.5 Cc1ncccc1O T5901 [1,1,0,0,0,0|0,0,0]=2 75 B8R1.5 Nc1ccccc1I T20285 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.5 Nc1ncccc1O T7923 [1,1,0,0,0,0|1,0,0]=3 77 B8R1.5 On1ccccc1=S T12593 [1,1,0,0,0,0|1,0,1]=4 78 B8R1.5 [O-]n1ccccc1=S T26004 [1,1,0,0,0,0|1,0,1]=4 79 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,1,0,0,1,0|1,0,1]=4 80 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,1,0,0,1,0|1,0,1]=4 81 B8R1.18 CC1OC(C)=CC1=O T22309 [0,1,0,0,1,0|1,0,1]=4 82 B8R1.11 CSc1nccn1C T8612 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.2 COc1cccc(Cl)c1Cl T1358 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.8 CCc1cc(C)cc(O)c1 T29396 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.10 CCOc1cccc(O)c1 T20297 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.10 Cc1cccc(CC#N)c1 T33456 [0,2,0,0,0,0|1,0,0]=3 87 B10R1.10 NCCc1cccc(O)c1 T11937 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.10 NCCc1cccc(O)c1 T11937L [0,2,0,0,0,0|2,0,0]=4 89 B10R1.10 NNCc1cccc(O)c1 T29406 [0,2,0,0,0,0|2,0,0]=4 90 B10R1.30 CCc1nc(C)ccc1O T7875 [0,2,0,0,0,0|0,0,0]=2 91 B10R1.30 CCc1nc(C)ccc1O T8624 [0,2,0,0,0,0|0,0,0]=2 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|2,0,0]=4 94 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [0,2,0,0,0,0|1,0,0]=3 95 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [0,2,0,0,0,0|1,0,0]=3 97 B10R1.113 CC(O)c1cccc(N)c1 T21106 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.113 CN(C)c1cccc(C)c1 T21088 [0,2,0,0,0,0|1,0,0]=3 99 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.172 CCc1cccc(C=C)c1 T34728 [0,2,0,0,0,0|1,0,1]=4 101 B10R1.172 CCc1cccc(C=O)c1 T21173 [0,2,0,0,0,0|1,0,1]=4 102 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [0,2,0,0,0,0|2,0,0]=4 103 B10R1.22 CC1=CC(=O)C=C(C)C1=O T4406 [0,2,0,0,0,0|1,0,0]=3 104 B10R1.22 Cc1cc(O)cc(C)c1Cl T0898 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.119 Cc1c(Cl)ccc(O)c1Cl T33980 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.245 COc1c(C)cccc1O T29355 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.25 CCc1ccc(C)cc1O T29345 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.25 CSc1ccc(C)cc1O T33232 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.118 Cc1cc(O)c(Cl)cc1Cl T29426 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.118 Cc1nc(C)c(C)nc1C T2722 [0,2,0,0,0,0|1,0,0]=3 112 B10R1.118 Cc1nc(C)c(C)nc1C T2953 [0,2,0,0,0,0|1,0,0]=3 113 B8R1.7 CC(=O)c1cccs1 T29331 [0,0,1,1,0,0|2,0,0]=4 114 B6R1.2 C[c-]1cccc1 T20558 [1,0,0,0,1,0|0,0,1]=3 115 B6R1.2 Cc1cn[nH]c1 T0765 [1,0,0,0,1,0|2,0,0]=4 116 B6R1.2 Cn1ccnc1 T0575 [1,0,0,0,1,0|2,0,0]=4 117 B6R1.2 Nc1nccs1 T0495 [1,0,0,0,1,0|2,0,0]=4