0 B8R1.8 CNCc1nccs1 LS21077 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 c1c(cn[nH]1)CCCl LS20059 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 c1cc(sc1)CC#N LS21115 [0,0,0,0,0,0|0,0,2]=2 3 B8R1.8 c1cc(sc1)CCN LS21113 [0,0,0,0,0,0|0,0,0]=0 4 B8R1.8 c1cc(sc1)CCO LS21112 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.8 c1cn(cn1)CCN LS20098 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 CCc1[nH]ccn1 LS20052 [1,0,0,0,0,0|2,0,0]=3 7 B7R1.1 c1c(nc[nH]1)CO LS20464 [1,0,0,0,0,0|3,0,0]=4 8 B7R1.1 c1c(ncs1)CCl LS21096 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.1 c1c(ncs1)CN LS21063 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.1 c1cc([nH]c1)C=O LS00119 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.1 c1cc(sc1)C=O LS40350 [1,0,0,0,0,0|1,0,1]=3 12 B7R1.1 c1cc(sc1)CO LS20642 [1,0,0,0,0,0|1,0,0]=2 13 B7R1.1 c1csc(n1)C=O LS20580 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 c1csc(n1)CN LS21076 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.13 c1cc(oc1)CC(=O)O LS40055 [0,1,0,0,0,0|1,1,1]=4 16 B9R1.13 c1cc(sc1)CC(=O)Cl LS21114 [0,1,0,0,0,0|1,0,1]=3 17 B9R1.13 c1cc(sc1)CC(=O)O LS20649 [0,1,0,0,0,0|1,0,1]=3 18 B9R2.2 c1c[nH]nc1C2CC2 LS20814 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.8 c1cc(cnc1)CC=O LS21221 [0,0,0,0,0,1|2,0,1]=4 20 B9R1.8 c1ccc(cc1)CCN LS10634 [0,0,0,0,0,1|1,0,0]=2 21 B9R1.8 c1ccc(cc1)CCN LS10635 [0,0,0,0,0,1|1,0,0]=2 22 B9R1.8 c1ccc(cc1)CNO LS11836 [0,0,0,0,0,1|3,0,0]=4 23 B9R1.8 c1ccc(cc1)CNO LS40338 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.8 c1ccc(cc1)CON LS40003 [0,0,0,0,0,1|2,0,0]=3 25 B9R1.8 c1ccnc(c1)CC#N LS20875 [0,0,0,0,0,1|1,0,2]=4 26 B9R1.8 c1cnccc1CCN LS21103 [0,0,0,0,0,1|1,0,0]=2 27 B6R1.2 Cc1[nH]ccn1 LS20670 [2,0,0,0,0,0|2,0,0]=4 28 B6R1.2 Cc1cc[nH]n1 LS20095 [2,0,0,0,0,0|2,0,0]=4 29 B6R1.2 Cc1cccs1 LS20640 [2,0,0,0,0,0|0,0,0]=2 30 B6R1.2 Cn1cccn1 LS20706 [2,0,0,0,0,0|2,0,0]=4 31 B6R1.2 c1c(snn1)N LS20079 [2,0,0,0,0,0|2,0,0]=4 32 B6R1.2 c1c[nH]nc1N LS20237 [2,0,0,0,0,0|2,0,0]=4 33 B6R1.2 c1cc(sc1)Br LS20644 [2,0,0,0,0,0|1,0,0]=3 34 B6R1.2 c1cc(sc1)Cl LS21132 [2,0,0,0,0,0|1,0,0]=3 35 B6R1.2 c1cc(sc1)S LS21100 [2,0,0,0,0,0|1,0,0]=3 36 B6R1.2 c1cnsc1N LS20872 [2,0,0,0,0,0|1,0,0]=3 37 B6R1.2 c1conc1N LS20282 [2,0,0,0,0,0|2,0,0]=4 38 B6R1.2 c1nc(sn1)N LS20176 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.1 Cc1ccc(s1)C=O LS20392 [1,1,0,0,0,0|1,0,1]=4 40 B8R1.1 c1c(csc1C=O)Br LS20660 [1,1,0,0,0,0|1,0,1]=4 41 B8R1.1 c1cc(sc1CCl)Cl LS20823 [1,1,0,0,0,0|1,0,0]=3 42 B8R1.7 B(c1cccs1)(O)O LS00104 [1,1,0,0,0,0|2,0,0]=4 43 B8R1.7 CC(=O)c1cccs1 LS20643 [1,1,0,0,0,0|0,0,1]=3 44 B8R1.7 CC(C)c1c[nH]cn1 LS21206 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [1,1,0,0,0,0|1,0,1]=4 46 B8R1.7 c1cc(sc1)C(=O)O LS20648 [1,1,0,0,0,0|1,0,1]=4 47 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [1,1,0,0,0,0|1,0,1]=4 48 B8R1.11 Cc1ccsc1C=O LS20658 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.1 Cc1ccc(cc1)CCN LS11229 [0,1,0,0,0,1|1,0,0]=3 50 B10R1.1 Cc1ccc(cc1)CCO LS11239 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.1 c1cc(ccc1CCN)Br LS11228 [0,1,0,0,0,1|1,0,0]=3 52 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [0,1,0,0,0,1|1,0,0]=3 53 B10R1.1 c1cc(ccc1CCN)N LS10602 [0,1,0,0,0,1|1,0,0]=3 54 B10R1.1 c1cc(ccc1CCN)O LS11714 [0,1,0,0,0,1|1,0,0]=3 55 B10R1.1 c1cc(ccc1CCO)Br LS11249 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [0,1,0,0,0,1|2,0,0]=4 57 B10R1.1 c1cc(ccc1CCO)F LS11241 [0,1,0,0,0,1|2,0,0]=4 58 B10R1.4 Cc1ccccc1CCO LS11237 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [0,1,0,0,0,1|1,0,0]=3 60 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [0,1,0,0,0,1|1,0,0]=3 61 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [0,1,0,0,0,1|2,0,0]=4 64 B10R1.10 Cc1cccc(c1)CCO LS11238 [0,1,0,0,0,1|2,0,0]=4 65 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [0,1,0,0,0,1|1,0,0]=3 66 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [0,1,0,0,0,1|2,0,0]=4 67 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [0,1,0,0,0,1|1,0,0]=3 68 B10R1.15 CC(CN)c1ccccc1 LS10637 [0,1,0,0,0,1|1,0,0]=3 69 B10R1.15 CC(CN)c1ccccc1 LS10638 [0,1,0,0,0,1|1,0,0]=3 70 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [0,1,0,0,0,1|2,0,0]=4 71 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [0,1,0,0,0,1|2,0,0]=4 72 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [0,1,0,0,0,1|1,0,0]=3 73 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [0,1,0,0,0,1|1,0,0]=3 74 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [0,1,0,0,0,1|2,0,0]=4 75 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [0,1,0,0,0,1|2,0,0]=4 76 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [0,1,0,0,0,1|2,0,0]=4 78 B10R1.17 c1ccc(cc1)NCCN LS10740 [0,1,0,0,0,1|1,0,0]=3 79 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,1,0,0,0,1|1,0,1]=4 80 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [0,0,0,1,0,1|1,0,0]=3