0 B9R1.35 O=C1N[C@H](C(=O)O)CS1 T5365 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [1,0,0,0,0,0|2,0,0]=3 2 B8R1.7 O=C(O)C1=NC=NN1 T1371 [1,0,0,0,0,0|3,0,0]=4 3 B8R1.7 O=C(O)c1ccco1 T5544 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.7 O=C(O)c1ccoc1 T5277 [1,0,0,0,0,0|0,1,0]=2 5 B8R1.7 O=C(O)c1cnsc1 T4675 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.31 O=C(O)c1ccc(CO)o1 T5278 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.23 C=C(CC(=O)O)C(=O)O T4837 [0,0,1,0,0,0|1,1,1]=4 8 B8R0.23 C\C(=C/C(=O)O)C(=O)O T20880 [0,0,1,0,0,0|1,1,1]=4 9 B8R0.23 C\C(=C\C(=O)O)C(=O)O T4525 [0,0,1,0,0,0|1,1,1]=4 10 B8R0.28 C(SC(=N)N)=CC(=O)O T23556 [0,0,1,0,0,0|2,0,0]=3 11 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,0,0,0,0,1|3,0,0]=4 12 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [0,0,0,0,0,1|1,0,0]=2 13 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,0,0,0,0,1|3,0,0]=4 14 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,0,0,0,0,1|2,0,0]=3 15 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,0,0,0,0,1|2,0,0]=3 16 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.13 O=C(O)C1=NC=C(O)N=C1 T10171 [0,0,0,0,0,1|2,0,0]=3 18 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,0,0,0,0,1|2,0,0]=3 19 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [0,0,0,0,0,1|1,1,0]=3 20 B10R1.54 Nc1nc(CC(=O)O)cs1 T7935 [0,0,0,0,0,1|2,0,0]=3 21 B10R1.113 CN1CCC=C(C(=O)O)C1 T5799 [0,0,0,0,0,1|2,0,1]=4 22 B10R1.113 CN1CCC=C(C(=O)O)C1 TN1398 [0,0,0,0,0,1|2,0,1]=4 23 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [0,0,0,0,0,1|2,0,0]=3 24 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [0,0,0,0,0,1|2,0,1]=4 25 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [0,0,0,0,0,1|2,0,0]=3 27 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [0,0,0,0,0,1|2,0,0]=3 30 B7R0.4 C\C=C\C=C\C(=O)O T8019 [1,0,1,0,0,0|1,0,0]=3 31 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [1,0,1,0,0,0|1,0,1]=4 32 B7R0.6 NC(=O)\C=C/C(=O)O T4905 [1,0,1,0,0,0|1,1,0]=4 33 B7R0.6 O=C(O)\C=C/C(=O)O T4913 [1,0,1,0,0,0|1,1,0]=4 34 B7R0.6 O=C(O)\C=C\C(=O)O T2769 [1,0,1,0,0,0|1,1,0]=4 35 B7R0.6 O=C(O)\C=C\C(=O)O T3763 [1,0,1,0,0,0|1,1,0]=4 36 B9R1.21 O=Cc1ccc(CO)o1 T2943 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.22 CC1=CC(C#N)=C(N)S1 T1376 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.22 CC1=CC(C)=C(C=O)N1 T21347 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.11 COC(=O)c1ccco1 T8022 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,1,0,0,0,1|1,0,0]=3 41 B11R1.3 NCc1ccc(C(=O)O)cc1 T1252 [0,1,0,0,0,1|1,0,0]=3 42 B11R1.3 O=Cc1ccc(C(=O)O)cc1 T1691 [0,1,0,0,0,1|1,0,1]=4 43 B11R1.21 Cc1cc(C(=O)O)ccc1O T5298 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.21 Cc1cnc(C(=O)O)c[n+]1[O-] T1162 [0,1,0,0,0,1|1,0,0]=3 45 B11R1.21 Cn1cc(C(=O)O)ccc1=O T6981 [0,1,0,0,0,1|2,0,0]=4 46 B11R1.21 Nc1cc(C(=O)O)ccc1O T4770 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 T7454 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,0,1|2,0,0]=4 49 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,1|2,0,0]=4 51 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.166 O=C(O)c1cnc(O)nc1O T4711 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.23 COC(=O)c1cncc(C)c1 T0548 [0,1,0,0,0,1|1,0,0]=3 57 B11R1.74 O=C(O)c1cc(O)cc(Cl)c1 T7482 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.74 O=C(O)c1cc(O)cc(O)c1 T0570 [0,1,0,0,0,1|2,0,0]=4 59 B11R1.159 Cc1cccc(C(=O)O)c1O T1423 [0,1,0,0,0,1|1,0,0]=3 60 B11R1.159 Nc1c(O)cccc1C(=O)O T4707 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.167 Nc1ccc(Cl)cc1C(=O)O T0567 [0,1,0,0,0,1|2,0,0]=4 63 B11R1.167 Nc1ccc(O)c(C(=O)O)c1 T0646 [0,1,0,0,0,1|2,0,0]=4 64 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.266 COc1cccc(C(=O)O)c1 T5982 [0,1,0,0,0,1|1,0,0]=3 66 B11R1.266 COc1cccc(C(N)=O)c1 T7439 [0,1,0,0,0,1|2,0,0]=4 67 B9R1.6 O=C(O)c1ccccc1 T0833 [0,0,1,1,0,0|1,0,1]=4 68 B9R1.6 O=C(O)c1cccnc1 T0879 [0,0,1,1,0,0|1,0,1]=4 69 B9R1.2 O=Cc1cccc(O)c1 T4778 [1,0,0,0,0,1|2,0,0]=4 70 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,0,0,0,0,2|2,0,0]=4 71 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [0,0,0,0,0,2|2,0,0]=4