0 B9R1.13 c1c(nc[nH]1)CC(=O)O LS20933 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.13 c1cc(oc1)CC(=O)O LS40055 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.13 c1cc(sc1)CC(=O)Cl LS21114 [0,0,0,0,0,0|1,1,0]=2 3 B9R1.13 c1cc(sc1)CC(=O)O LS20649 [0,0,0,0,0,0|1,1,0]=2 4 B8R1.8 CNCc1nccs1 LS21077 [1,0,0,0,0,0|2,1,0]=4 5 B8R1.8 c1cc(sc1)CC#N LS21115 [1,0,0,0,0,0|1,1,1]=4 6 B8R1.8 c1cc(sc1)CCN LS21113 [1,0,0,0,0,0|1,1,1]=4 7 B8R1.8 c1cc(sc1)CCO LS21112 [1,0,0,0,0,0|0,1,2]=4 8 B10R1.27 COC(=O)Cn1ccnc1 LS70037 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.54 c1c(nc(s1)N)CC(=O)O LS40627 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.7 B(c1ccco1)(O)O LS11074 [0,0,0,0,1,0|2,0,1]=4 11 B8R1.7 CC(=O)c1c[nH]cn1 LS20519 [0,0,0,0,1,0|2,0,0]=3 12 B8R1.7 CC(=O)c1cccs1 LS20643 [0,0,0,0,1,0|0,1,0]=2 13 B8R1.7 CC(=O)c1ccsc1 LS20391 [0,0,0,0,1,0|2,0,0]=3 14 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [0,0,0,0,1,0|3,0,0]=4 15 B8R1.7 c1c(nco1)C(=O)O LS41294 [0,0,0,0,1,0|3,0,0]=4 16 B8R1.7 c1c(ncs1)C(=O)N LS21083 [0,0,0,0,1,0|3,0,0]=4 17 B8R1.7 c1c(ncs1)C(=O)O LS21061 [0,0,0,0,1,0|3,0,0]=4 18 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [0,0,0,0,1,0|2,0,0]=3 19 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [0,0,0,0,1,0|1,1,0]=3 20 B8R1.7 c1cc(sc1)C(=O)O LS20648 [0,0,0,0,1,0|1,1,0]=3 21 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [0,0,0,0,1,0|1,1,0]=3 22 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [0,0,0,0,1,0|3,0,0]=4 23 B8R1.7 c1cnoc1C(=O)O LS20280 [0,0,0,0,1,0|2,0,0]=3 24 B8R1.7 c1conc1C(=O)O LS20146 [0,0,0,0,1,0|3,0,0]=4 25 B8R1.7 c1cscc1C(=O)Cl LS20651 [0,0,0,0,1,0|3,0,0]=4 26 B8R1.7 c1cscc1C(=O)O LS20647 [0,0,0,0,1,0|3,0,0]=4 27 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,0,0,0,0,1|1,0,0]=2 28 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,0,0,0,0,1|2,0,0]=3 29 B10R1.66 c1cc(sc1)\C=C\C(=O)O LS20822 [0,0,0,0,0,1|1,1,1]=4 30 B7R1.1 CCc1[nH]ccn1 LS20052 [2,0,0,0,0,0|2,0,0]=4 31 B7R1.1 c1c(nc[nH]1)C=O LS20992 [2,0,0,0,0,0|2,0,0]=4 32 B7R1.1 c1c(ncs1)C=O LS21128 [2,0,0,0,0,0|2,0,0]=4 33 B7R1.1 c1cc([nH]c1)C=O LS00119 [2,0,0,0,0,0|1,0,0]=3 34 B7R1.1 c1cc(sc1)C=O LS40350 [2,0,0,0,0,0|0,1,0]=3 35 B7R1.1 c1cc(sc1)CO LS20642 [2,0,0,0,0,0|0,1,1]=4 36 B7R1.1 c1cnc([nH]1)C=O LS20564 [2,0,0,0,0,0|2,0,0]=4 37 B7R1.1 c1csc(n1)C=O LS20580 [2,0,0,0,0,0|1,1,0]=4 38 B7R1.1 c1cscc1C=O LS20646 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [0,1,0,0,1,0|1,1,0]=4 40 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [0,1,0,0,1,0|1,1,0]=4 41 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [0,1,0,0,1,0|1,1,0]=4 42 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [0,1,0,0,1,0|1,1,0]=4 43 B9R1.41 Cc1ccsc1C(=O)O LS20659 [0,1,0,0,1,0|1,1,0]=4 44 B9R1.41 c1csc(c1Br)C(=O)O LS20750 [0,1,0,0,1,0|1,1,0]=4 45 B9R1.41 c1csc(c1Cl)C(=O)O LS20749 [0,1,0,0,1,0|1,1,0]=4 46 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,1,0,0,0,1|1,0,0]=3 47 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,1,0,0,0,1|1,0,0]=3 48 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,1,0,0,0,1|1,0,0]=3 49 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [0,1,0,0,0,1|2,0,0]=4 50 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,1,0,0,0,1|1,0,0]=3 51 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [0,1,0,0,0,1|2,0,0]=4 53 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,1,0,0,0,1|2,0,0]=4 54 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,1,0,0,0,1|2,0,0]=4 55 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,1,0,0,0,1|2,0,0]=4 56 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,1,0,0,0,1|2,0,0]=4 58 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,1,0,0,0,1|1,0,0]=3 59 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,1,0,0,0,1|1,0,0]=3 60 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,1,0,0,0,1|1,0,0]=3 61 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,1,0,0,0,1|1,0,0]=3 63 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,1,0,0,0,1|1,0,0]=3 64 B11R1.157 CC(=O)Nc1cccc(n1)N LS20129 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.157 CC(=O)Nc1ccnc(=O)[nH]1 LS40107 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.39 COC(=O)Cn1cc(cn1)Br LS20824 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,0,1,1,0,0|1,0,1]=4 68 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,0,0,1,0,1|2,0,0]=4 69 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,0,0,1,0,1|2,0,0]=4 70 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,0,0,0,0,1|1,0,0]=3 71 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,0,0,0,0,2|1,0,0]=3 72 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,0,0,0,0,2|2,0,0]=4