0 B8R1.2 CNc1cccnc1 LS20470 [0,0,0,1,0,0|3,0,0]=4 1 B8R1.2 c1ccc(cc1)CO LS41488 [0,0,0,1,0,0|0,0,2]=3 2 B8R1.5 Cc1c(cccn1)O LS20321 [0,0,0,1,0,0|1,0,2]=4 3 B8R1.5 Cc1ccccc1Cl LS11417 [0,0,0,1,0,0|1,0,2]=4 4 B8R1.5 Cc1cccnc1O LS20286 [0,0,0,1,0,0|1,0,2]=4 5 B8R1.5 Cn1ccccc1=O LS40391 [0,0,0,1,0,0|1,0,2]=4 6 B8R1.5 c1ccc(c(c1)O)Br LS11447 [0,0,0,1,0,0|1,0,2]=4 7 B8R1.5 c1ccc(c(c1)O)F LS10471 [0,0,0,1,0,0|1,0,2]=4 8 B8R1.5 c1ccc(c(c1)O)I LS00004 [0,0,0,1,0,0|1,0,2]=4 9 B8R1.5 c1ccn(c(=O)c1)O LS21131 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.8 c1cc(sc1)CCO LS21112 [0,0,0,1,0,0|1,0,2]=4 11 B8R1.11 Cn1ccnc1CO LS20254 [0,0,0,1,0,0|2,0,0]=3 12 B5R0.2 C(\C=C/CCl)Cl LS30130 [2,0,0,0,0,0|2,0,0]=4 13 B5R0.2 C(\C=C\CCl)Cl LS30302 [2,0,0,0,0,0|2,0,0]=4 14 B7R0.4 CCC\C=C\C(=O)C LS41924 [1,1,0,0,0,0|0,0,1]=3 15 B7R0.4 CCO\C=C\C(=O)O LS40208 [1,1,0,0,0,0|1,0,0]=3 16 B9R0.5 CCO\C=C\C(=O)OCC LS40219 [0,2,0,0,0,0|2,0,0]=4 17 B7R1.1 C1C=CCC1CO LS40472 [1,0,0,1,0,0|0,0,2]=4 18 B7R1.1 CCc1[nH]ccn1 LS20052 [1,0,0,1,0,0|2,0,0]=4 19 B7R1.1 c1c(nc[nH]1)CO LS20464 [1,0,0,1,0,0|2,0,0]=4 20 B7R1.1 c1cc(sc1)CO LS20642 [1,0,0,1,0,0|1,0,0]=3 21 B9R1.2 Cc1cccc(c1)CBr LS11263 [0,1,0,1,0,0|1,0,1]=4 22 B9R1.2 Cc1cccc(c1)CCl LS11215 [0,1,0,1,0,0|1,0,1]=4 23 B9R1.2 Cc1cccc(c1)CN LS11219 [0,1,0,1,0,0|1,0,1]=4 24 B9R1.2 Cc1cccc(n1)CO LS20207 [0,1,0,1,0,0|0,0,1]=3 25 B9R1.2 c1cc(cc(c1)F)CO LS11387 [0,1,0,1,0,0|0,0,2]=4 26 B9R1.8 c1ccc(cc1)CCN LS10634 [0,1,0,1,0,0|1,0,1]=4 27 B9R1.8 c1ccc(cc1)CCN LS10635 [0,1,0,1,0,0|1,0,1]=4 28 B9R1.8 c1ccc(cc1)CNO LS11836 [0,1,0,1,0,0|0,0,2]=4 29 B9R1.8 c1ccc(cc1)CNO LS40338 [0,1,0,1,0,0|0,0,2]=4 30 B9R1.8 c1ccc(cc1)CON LS40003 [0,1,0,1,0,0|0,0,2]=4 31 B9R1.15 Cc1ccccc1CBr LS11262 [0,1,0,1,0,0|1,0,1]=4 32 B9R1.15 Cc1ccccc1CN LS11218 [0,1,0,1,0,0|1,0,1]=4 33 B9R1.15 Cc1ccccc1CO LS11274 [0,1,0,1,0,0|0,0,1]=3 34 B9R1.15 c1cc(c(nc1)CO)O LS20165 [0,1,0,1,0,0|1,0,1]=4 35 B9R1.15 c1cc(c(nc1)Cl)CO LS20227 [0,1,0,1,0,0|1,0,1]=4 36 B9R1.15 c1cc(c(nc1)N)CO LS41435 [0,1,0,1,0,0|1,0,1]=4 37 B9R1.15 c1ccc(c(c1)CO)F LS11270 [0,1,0,1,0,0|0,0,2]=4 38 B9R1.15 c1ccc(c(c1)CO)I LS11276 [0,1,0,1,0,0|0,0,2]=4 39 B9R1.15 c1ccc(c(c1)CO)N LS10594 [0,1,0,1,0,0|0,0,2]=4 40 B9R1.69 Cc1cc(ccc1O)Br LS10229 [0,1,0,1,0,0|0,0,2]=4 41 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [0,1,0,1,0,0|0,0,2]=4 42 B9R1.1 CCc1ccc(cc1)F LS11765 [0,1,0,1,0,0|1,0,1]=4 43 B9R1.1 CCc1ccc(cn1)Br LS21179 [0,1,0,1,0,0|1,0,1]=4 44 B9R1.1 Cc1ccc(cc1)CO LS11273 [0,1,0,1,0,0|0,0,2]=4 45 B9R1.1 c1cc(ccc1CO)I LS11275 [0,1,0,1,0,0|0,0,2]=4 46 B9R1.1 c1cc(ccc1CO)N LS10779 [0,1,0,1,0,0|0,0,2]=4 47 B9R1.1 c1cc(ncc1Br)CO LS20572 [0,1,0,1,0,0|1,0,1]=4 48 B9R1.1 c1cc(ncc1CO)N LS40930 [0,1,0,1,0,0|1,0,1]=4 49 B9R1.3 Cc1c(cccc1F)O LS11582 [0,1,0,1,0,0|0,0,2]=4 50 B9R1.3 Cc1c(cccc1O)N LS11805 [0,1,0,1,0,0|0,0,2]=4 51 B9R1.3 Cc1c(cccc1O)O LS10121 [0,1,0,1,0,0|0,0,2]=4 52 B9R1.3 Cc1cccc(c1O)Cl LS10669 [0,1,0,1,0,0|0,0,2]=4 53 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [0,1,0,1,0,0|1,0,1]=4 54 B9R1.6 C[C@H](c1ccccc1)N LS30099 [0,1,0,1,0,0|1,0,1]=4