0 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 Cc1cc(n[nH]1)C(O)=O T7476 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.35 OC1CCC(=C1)C(O)=O T24146 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.1 Cc1ccc(C=O)s1 T19154 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.7 CC(=O)c1cccs1 T29331 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.7 CC(=O)c1nccs1 T8042 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [1,0,0,0,0,0|0,0,0]=1 8 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.7 OC(=O)c1ccco1 T5544 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 OC(=O)c1ccoc1 T5277 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 OC(=O)c1cnsc1 T4675 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 OC(=O)c1nc[nH]n1 T1371 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.31 OCc1ccc(o1)C(O)=O T5278 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.59 CC(=O)c1cc(C)oc1C T20546 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.9 COC(=O)/C=C/C(O)=O T12095 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.23 C/C(=C/C(O)=O)C(O)=O T4525 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.23 CC(=CC(=O)O)C(=O)O T20880 [0,0,1,0,0,0|3,0,0]=4 18 B8R0.28 CC(=O)NCCC(O)=O T1373 [0,0,1,0,0,0|2,0,1]=4 19 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,0,0,0,0,1|3,0,0]=4 20 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,0,0,0,0,1|2,0,0]=3 21 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,0,0,0,0,1|3,0,0]=4 22 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,0,0,0,0,1|2,0,1]=4 23 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,0,0,0,0,1|2,0,0]=3 24 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,0,0,0,0,1|3,0,0]=4 25 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.13 OC(=O)c1cnc(O)cn1 T10171 [0,0,0,0,0,1|2,0,0]=3 27 B10R1.113 CC1=N[C@@H](CCN1)C(O)=O T4038 [0,0,0,0,0,1|2,0,1]=4 28 B10R1.113 C[n+]1cccc(c1)C(O)=O T2927 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [0,0,0,0,0,1|3,0,0]=4 31 B7R0.4 C/C=C/C=C/C(O)=O T8019 [1,0,1,0,0,0|2,0,0]=4 32 B7R0.5 CC/C=C(\C)C(O)=O T8052 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.6 NC(=O)/C=C\C(O)=O T4905 [1,0,1,0,0,0|1,0,0]=3 34 B7R0.6 OC(=O)/C=C/C(O)=O T2769 [1,0,1,0,0,0|2,0,0]=4 35 B7R0.6 OC(=O)/C=C/C(O)=O T3763 [1,0,1,0,0,0|2,0,0]=4 36 B7R0.6 OC(=O)/C=C\C(O)=O T4913 [1,0,1,0,0,0|2,0,0]=4 37 B7R1.2 Cc1cc(N)no1 T0644 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.7 C/C(=N/NC(N)=O)C(O)=O T34213 [0,1,1,0,0,0|1,0,1]=4 39 B9R1.11 COC(=O)c1ccco1 T8022 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.21 Cc1cnc(c[n+]1[O-])C(O)=O T1162 [0,1,0,0,0,1|1,0,0]=3 44 B11R1.21 Cn1cc(ccc1=O)C(O)=O T6981 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.314 N[C@H](C(O)=O)c1cc(=O)[nH]o1 T25717 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,1|1,0,0]=3 49 B11R1.74 OC(=O)c1c[14c](=O)[nH]c(=O)[nH]1 T12325 [0,1,0,0,0,1|1,0,1]=4 50 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T0746 [0,1,0,0,0,1|1,0,1]=4 51 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T21194 [0,1,0,0,0,1|1,0,1]=4 52 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T27963 [0,1,0,0,0,1|1,0,1]=4 53 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T31267 [0,1,0,0,0,1|1,0,1]=4 54 B11R1.74 OC(=O)c1cc(=O)[nH]c(=O)[nH]1 T5078 [0,1,0,0,0,1|1,0,1]=4 55 B11R1.159 Cc1cccc(C(O)=O)c1O T1423 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.266 COc1cccc(c1)C(O)=O T5982 [0,1,0,0,0,1|2,0,0]=4 57 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [0,0,1,1,0,0|1,0,1]=4 58 B9R1.6 OC(=O)C1=CCCNC1 T7557 [0,0,1,1,0,0|1,0,1]=4 59 B9R1.6 OC(=O)C1=CCCNC1 TN1717 [0,0,1,1,0,0|1,0,1]=4 60 B9R1.6 OC(=O)c1ccccn1 T4850 [0,0,1,1,0,0|1,0,1]=4 61 B9R1.6 OC(=O)c1cnccn1 T0569 [0,0,1,1,0,0|2,0,0]=4 62 B9R1.13 OC(=O)Cc1c[nH]cn1 T13735 [1,0,0,0,0,1|2,0,0]=4 63 B11R1.75 Cc1nnc(SCC(O)=O)[nH]1 T21398 [0,0,0,0,0,2|1,0,1]=4 64 B11R1.157 Cc1cccc(CC(O)=O)c1 T19409 [0,0,0,0,0,2|2,0,0]=4