0 B16R2.1054 CCNCc1nc2ccccc2c(=O)[nH]1 AIFCHEM-94537421664 [0,0,0,0,0,1|2,0,1]=4 1 B16R2.12192 CCCNc1ccc(c2c1cccc2)O AIFCHEM-94569020416 [0,0,0,0,0,1|2,0,1]=4 2 B16R2.12192 O=c1[nH]nc(c2c1cccc2)C=CCO AIFCHEM-6323421342 [0,0,0,0,0,1|2,0,1]=4 3 B16R2.12202 CCCNc1cc(nc2c1cccc2)C AIFCHEM-94569021258 [0,0,0,0,0,1|3,0,0]=4 4 B16R2.12202 O=c1cc(c2ccccc2o1)C=CCO AIFCHEM-6338995815 [0,0,0,0,0,1|2,0,1]=4 5 B13R1.84 CCCC=Cc1ccccc1CO AIFCHEM-6321351233 [1,0,1,0,0,0|0,0,1]=3 6 B13R1.84 CCCC=Cc1ccncc1CO AIFCHEM-6319492671 [1,0,1,0,0,0|1,0,1]=4 7 B13R1.84 CCCC=Cc1ncccc1C=O AIFCHEM-6376632678 [1,0,1,0,0,0|1,0,0]=3 8 B13R1.572 CCNCc1ccccc1C(=O)O AIFCHEM-94588821659 [1,0,1,0,0,0|1,0,1]=4 9 B15R1.241 CCCCC=Cc1cccnc1C(=O)N AIFCHEM-6485305788 [0,1,1,0,0,0|2,0,0]=4 10 B15R1.241 CSCCNCc1ccccc1C(=O)O AIFCHEM-5830661958 [0,1,1,0,0,0|1,0,1]=4 11 B15R1.559 CCCC=Cc1ccc(cc1C(=O)N)F AIFCHEM-6314825761 [0,1,1,0,0,0|1,0,0]=3 12 B15R1.559 CCCCNc1ccc(cc1C(=O)O)Br AIFCHEM-94523039438 [0,1,1,0,0,0|1,0,1]=4 13 B15R1.559 CCCNCc1ccc(cc1C(=O)O)F AIFCHEM-94521372073 [0,1,1,0,0,0|1,0,1]=4 14 B15R1.559 CCOC=Cc1cnc(cc1C(=O)O)O AIFCHEM-94580726684 [0,1,1,0,0,0|2,0,0]=4 15 B15R1.1159 CCOC=Cc1cc(ccc1C(=O)O)F AIFCHEM-94580711942 [0,1,1,0,0,0|1,0,0]=3 16 B15R1.1191 CCCC=Cc1ccccc1C(=O)OC AIFCHEM-94579938179 [0,1,1,0,0,0|0,0,0]=2 17 B15R1.1191 CCCC=Cc1ccccc1[C@H](N)CO AIFCHEM-94561438753 [0,1,1,0,0,0|1,0,1]=4 18 B15R1.1191 CCCC=Cc1cncnc1C(=O)OC AIFCHEM-6288103800 [0,1,1,0,0,0|2,0,0]=4 19 B15R1.1191 CCOC=Cc1cccnc1C(=O)OC AIFCHEM-94580722542 [0,1,1,0,0,0|2,0,0]=4 20 B15R1.1191 COCC=Cc1cnccc1C(=O)OC AIFCHEM-6206121501 [0,1,1,0,0,0|2,0,0]=4 21 B15R1.1191 COCC=Cc1ncccc1C(=O)OC AIFCHEM-94589198818 [0,1,1,0,0,0|2,0,0]=4 22 B15R1.1239 CCCNC(=O)c1ccccc1C(=O)C AIFCHEM-5875781960 [0,1,1,0,0,0|2,0,0]=4 23 B15R1.3990 CCCNCc1c(cccc1C(=O)O)O AIFCHEM-94521366529 [0,1,1,0,0,0|1,0,1]=4 24 B15R1.8882 CC(C)CNCc1ccccc1C(=O)O AIFCHEM-6179441648 [0,1,1,0,0,0|1,0,1]=4 25 B17R2.12072 CCCC=Cc1cc2ccccc2c(n1)N AIFCHEM-5603855454 [0,1,0,0,0,1|2,0,0]=4 26 B17R2.12072 CCOC=Cc1cc2ccccc2c(=O)[nH]1 AIFCHEM-94580719434 [0,1,0,0,0,1|1,0,1]=4 27 B17R2.12118 CCOC=Cc1c[nH]c(=O)c2c1cccc2 AIFCHEM-94580721234 [0,1,0,0,0,1|1,0,1]=4 28 B17R2.12128 CCCC=Cc1cc(cc2c1cccc2)N AIFCHEM-6286155334 [0,1,0,0,0,1|2,0,0]=4 29 B17R2.12128 COCC=Cc1cc(=O)[nH]c2c1cccc2 AIFCHEM-6362922087 [0,1,0,0,0,1|1,0,1]=4 30 B15R2.1221 NC(=O)c1ccccc1C2=CCOC2 AIFCHEM-6354481111 [0,0,1,1,0,0|2,0,0]=4 31 B15R2.1221 NC(=O)c1ccncc1C2=CCCC2 AIFCHEM-6480020463 [0,0,1,1,0,0|2,0,0]=4 32 B15R2.16319 NC(=O)c1ccncc1C=CC2CC2 AIFCHEM-94569109084 [0,0,1,1,0,0|2,0,0]=4 33 B13R1.670 CCOC=Cc1ccoc1C(=O)O AIFCHEM-94580716411 [0,0,1,0,1,0|2,0,0]=4 34 B13R1.670 CCOC=Cc1ccsc1C(=O)O AIFCHEM-94580723281 [0,0,1,0,1,0|2,0,0]=4 35 B15R1.1188 CCCC=Cc1ccccc1NC(=O)N AIFCHEM-6465721529 [0,0,1,0,0,1|1,0,0]=3 36 B15R1.1188 CCCC=Cc1ccncc1NC(=O)C AIFCHEM-3020509396 [0,0,1,0,0,1|2,0,0]=4 37 B15R1.1188 CCOC=Cc1ccccc1OC(=O)C AIFCHEM-94580720396 [0,0,1,0,0,1|2,0,0]=4