0 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,0,0,0,0,0|0,1,0]=1 2 B7R1.2 C=C1OC(=O)C=C1 TN2420 [1,0,0,0,0,0|0,0,1]=2 3 B7R1.2 CC1=CCC(=O)O1 T7995 [1,0,0,0,0,0|0,0,1]=2 4 B7R1.2 Cn1ccc(N)n1 T3295 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.2 O=C1CCC(=O)O1 T18723 [1,0,0,0,0,0|1,0,2]=4 6 B7R1.2 O=C1NC(=O)C=C1 T4820 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.21 OCc1ccc(C=O)o1 T2943 [0,1,0,0,0,0|0,0,0]=1 8 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,1,0,0,0,0|0,1,0]=2 10 B9R1.35 Cc1cc(n[nH]1)C(O)=O T7476 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.35 Cc1ncc([nH]1)[N+]([O-])=O T0638 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.4 C/C=C/C=C/C(O)=O T8019 [0,0,1,0,0,0|2,0,0]=3 13 B7R0.4 C/C=C/C=C/C([O-])=O T4807 [0,0,1,0,0,0|2,0,1]=4 14 B9R1.1 Oc1ccc(C=C)cc1 T13509 [0,0,0,0,0,1|3,0,0]=4 15 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [0,0,0,0,0,1|2,0,0]=3 16 B9R1.2 CNc1cccc(C)c1 T0557 [0,0,0,0,0,1|3,0,0]=4 17 B9R1.2 COc1cccc(C)c1 T21278 [0,0,0,0,0,1|3,0,0]=4 18 B9R1.2 Cc1cccc(c1)[I]=O T32169 [0,0,0,0,0,1|2,0,0]=3 19 B9R1.2 Fc1cccc(C=O)c1 T21180 [0,0,0,0,0,1|2,0,0]=3 20 B9R1.2 Oc1cccc(C=O)c1 T4778 [0,0,0,0,0,1|2,0,0]=3 21 B6R0.4 NC/C=C/C(O)=O T23414 [1,0,1,0,0,0|1,0,1]=4 22 B6R0.4 OC/C=C/C(O)=O T23473 [1,0,1,0,0,0|1,0,1]=4 23 B6R0.6 CCC/C=C/C=O T8099 [1,0,1,0,0,0|0,0,2]=4 24 B6R1.2 C[c-]1cccc1 T20558 [2,0,0,0,0,0|1,0,1]=4 25 B8R1.7 CC(=O)[c-]1cccc1 T20583 [1,1,0,0,0,0|1,0,1]=4 26 B8R1.7 CC(=O)c1cccs1 T29331 [1,1,0,0,0,0|0,1,0]=3 27 B8R1.7 CC(=O)c1nccs1 T8042 [1,1,0,0,0,0|1,1,0]=4 28 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [1,1,0,0,0,0|2,0,0]=4 29 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [1,1,0,0,0,0|1,0,0]=3 30 B8R1.7 OC(=O)c1ccco1 T5544 [1,1,0,0,0,0|0,0,0]=2 31 B8R1.7 OC(=O)c1ccoc1 T5277 [1,1,0,0,0,0|2,0,0]=4 32 B8R1.18 C=C1CC(=O)OC1=O T5321 [1,1,0,0,0,0|1,0,1]=4 33 B8R1.18 CC1=CC(=O)OC1=O TN6957 [1,1,0,0,0,0|1,0,0]=3 34 B8R1.18 CC1OC(C)=CC1=O T22309 [1,1,0,0,0,0|0,0,2]=4 35 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,1,0,0,0,1|1,0,0]=3 36 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,1,0,0,0,1|1,0,0]=3 37 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,1,0,0,0,1|1,0,0]=3 39 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,1,0,0,0,1|2,0,0]=4 40 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,1,0,0,0,1|2,0,0]=4 43 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,1,0,0,0,1|1,0,0]=3 45 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [0,1,0,0,0,1|1,0,0]=3 47 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.176 Oc1ccc(C=O)cc1O T3018 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.113 C[n+]1cccc(c1)C(N)=O T4853 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.113 C[n+]1cccc(c1)C(O)=O T2927 [0,1,0,0,0,1|2,0,0]=4 53 B10R1.113 C[n+]1cccc(c1)C([O-])=O T2887 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [0,1,0,0,0,1|1,0,0]=3 55 B10R1.113 Fc1cccc(c1)C(Cl)=O T21186 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [0,1,0,0,0,1|2,0,0]=4 57 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [0,1,0,0,0,1|2,0,0]=4 58 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.113 [O-]C(=O)c1cccc(I)c1 T30402 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.172 CCc1cccc(C=C)c1 T34728 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.172 CCc1cccc(C=O)c1 T21173 [0,1,0,0,0,1|1,0,0]=3 64 B10R1.172 O=Cc1cccc(c1)C#N T21188 [0,1,0,0,0,1|1,0,1]=4 65 B10R1.31 OCc1ccc(o1)C(O)=O T5278 [0,2,0,0,0,0|0,0,0]=2 66 B10R1.59 CC(=O)c1cc(C)oc1C T20546 [0,2,0,0,0,0|2,0,0]=4 67 B8R1.2 O=Cc1ccccc1 TWO2659 [0,0,1,1,0,0|1,0,1]=4 68 B8R1.5 Cc1ncccc1O T5901 [0,0,1,1,0,0|2,0,0]=4 69 B8R1.5 Nc1ncccc1O T7923 [0,0,1,1,0,0|2,0,0]=4 70 B8R1.5 Oc1coccc1=O TL0015 [0,0,1,1,0,0|1,0,1]=4