0 B8R1.8 c1c(cn[nH]1)CCCl LS20059 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 c1cc(sc1)CC#N LS21115 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.8 c1cc(sc1)CCN LS21113 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.8 c1cc(sc1)CCO LS21112 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 c1cn(cn1)CC#N LS20233 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.8 c1cn(cn1)CCN LS20098 [0,0,0,0,0,0|2,0,0]=2 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|1,0,2]=4 8 B7R1.1 c1c(ncs1)CCl LS21096 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.1 c1c(ncs1)CN LS21063 [1,0,0,0,0,0|1,0,1]=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)CO LS20642 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.1 c1cn(cn1)CO LS20270 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.1 c1csc(n1)CN LS21076 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 c1cc(cnc1)CC=O LS21221 [0,0,0,0,0,1|2,0,1]=4 15 B9R1.8 c1ccc(cc1)CCN LS10634 [0,0,0,0,0,1|2,0,0]=3 16 B9R1.8 c1ccc(cc1)CCN LS10635 [0,0,0,0,0,1|2,0,0]=3 17 B9R1.8 c1ccc(cc1)CON LS40003 [0,0,0,0,0,1|3,0,0]=4 18 B9R1.8 c1cnccc1CCN LS21103 [0,0,0,0,0,1|1,0,0]=2 19 B6R1.2 Cc1[nH]ccn1 LS20670 [2,0,0,0,0,0|2,0,0]=4 20 B6R1.2 Cc1c[nH]nc1 LS20097 [2,0,0,0,0,0|2,0,0]=4 21 B6R1.2 Cc1cccs1 LS20640 [2,0,0,0,0,0|2,0,0]=4 22 B6R1.2 Cc1cnoc1 LS20829 [2,0,0,0,0,0|2,0,0]=4 23 B6R1.2 Cn1ccnc1 LS20202 [2,0,0,0,0,0|2,0,0]=4 24 B6R1.2 c1c(snn1)N LS20079 [2,0,0,0,0,0|2,0,0]=4 25 B6R1.2 c1cnsc1N LS20872 [2,0,0,0,0,0|2,0,0]=4 26 B6R1.2 c1nc(sn1)N LS20176 [2,0,0,0,0,0|1,0,1]=4 27 B8R1.7 CC(C)c1c[nH]cn1 LS21206 [1,1,0,0,0,0|0,0,2]=4 28 B10R1.1 Cc1ccc(cc1)CCN LS11229 [0,1,0,0,0,1|2,0,0]=4 29 B10R1.1 c1cc(ccc1CCN)Br LS11228 [0,1,0,0,0,1|2,0,0]=4 30 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [0,1,0,0,0,1|2,0,0]=4 31 B10R1.1 c1cc(ccc1CCN)N LS10602 [0,1,0,0,0,1|2,0,0]=4 32 B10R1.1 c1cc(ccc1CCN)O LS11714 [0,1,0,0,0,1|2,0,0]=4 33 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [0,1,0,0,0,1|2,0,0]=4 34 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [0,1,0,0,0,1|2,0,0]=4 35 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [0,1,0,0,0,1|2,0,0]=4 36 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [0,1,0,0,0,1|2,0,0]=4 37 B10R1.15 CC(CN)c1ccccc1 LS10637 [0,1,0,0,0,1|2,0,0]=4 38 B10R1.15 CC(CN)c1ccccc1 LS10638 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [0,1,0,0,0,1|2,0,0]=4 40 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.17 c1ccc(cc1)NCCN LS10740 [0,1,0,0,0,1|2,0,0]=4 42 B8R1.2 c1cnccc1CN LS20857 [0,0,1,1,0,0|1,0,1]=4 43 B8R1.5 c1cc(c(nc1)N)N LS20494 [0,0,1,1,0,0|0,0,2]=4 44 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [0,0,0,1,0,1|1,0,0]=3