0 B16R2.1054 CCNCc1nc2ccccc2c(=O)[nH]1 AIFCHEM-94537421664 [0,0,0,0,0,0|3,0,1]=4 1 B15R2.886 CC=Cc1cc(c2ncccc2c1)F AIFCHEM-6339674533 [1,0,0,0,0,0|3,0,0]=4 2 B15R2.886 CCNc1cc(c2ccccc2c1)Br AIFCHEM-94537425083 [1,0,0,0,0,0|3,0,0]=4 3 B17R2.12072 CCCC=Cc1cc(c2ncccc2c1)C AIFCHEM-6323746432 [0,1,0,0,0,0|3,0,0]=4 4 B17R2.12072 CCCC=Cc1cc2ccccc2c(n1)N AIFCHEM-5603855454 [0,1,0,0,0,0|2,0,0]=3 5 B17R2.12072 CCOC=Cc1cc2ccccc2c(=O)[nH]1 AIFCHEM-94580719434 [0,1,0,0,0,0|1,0,0]=2 6 B17R2.40403 CC(O)C=Cc1cc(c2ncccc2c1)F AIFCHEM-6331801879 [0,1,0,0,0,0|3,0,0]=4 7 B17R2.40403 Cc1cc(nc2c1cccc2)C=CC(C)O AIFCHEM-6379949632 [0,1,0,0,0,0|3,0,0]=4 8 B17R2.56295 OCC=Cc1cc(c2cc(ccc2c1)O)F AIFCHEM-6227090355 [0,1,0,0,0,0|3,0,0]=4 9 B14R1.476 CCCCC=Cc1ccccc1C=O AIFCHEM-6292270280 [1,0,1,0,0,0|0,0,2]=4 10 B14R2.112 CC=Cc1ccc2ccncc2c1 AIFCHEM-6471266307 [2,0,0,0,0,0|2,0,0]=4 11 B14R2.112 CC=Cc1cnc2ccccc2c1 AIFCHEM-6417161046 [2,0,0,0,0,0|2,0,0]=4 12 B14R2.112 CCNc1cc2ccccc2cn1 AIFCHEM-94537419260 [2,0,0,0,0,0|2,0,0]=4 13 B16R2.477 CC(O)C=Cc1ccc2ccccc2n1 AIFCHEM-94545473158 [1,1,0,0,0,0|2,0,0]=4 14 B16R2.1056 OCC=Cc1cc2ccccc2cc1O AIFCHEM-6458073314 [1,1,0,0,0,0|2,0,0]=4 15 B16R2.2441 CCCC=Cc1cc2ccccc2cn1 AIFCHEM-6457537568 [1,1,0,0,0,0|1,0,0]=3 16 B16R2.2441 CCOC=Cc1cc2ccccc2cn1 AIFCHEM-6427363409 [1,1,0,0,0,0|1,0,0]=3 17 B16R2.2441 CCOC=Cc1cnc2ccccc2c1 AIFCHEM-94580722499 [1,1,0,0,0,0|2,0,0]=4 18 B16R2.2441 COCC=Cc1ccc2ccccc2n1 AIFCHEM-6298282748 [1,1,0,0,0,0|2,0,0]=4 19 B16R2.24933 CC(=Cc1cc(c2ccccc2c1)O)C AIFCHEM-6453111564 [1,1,0,0,0,0|1,0,1]=4 20 B16R2.24933 CC(=Cc1cc2ccccc2c(=O)[nH]1)C AIFCHEM-6417480018 [1,1,0,0,0,0|1,0,0]=3 21 B16R2.24933 CC(=Cc1cc2ccccc2c(n1)N)C AIFCHEM-5595773140 [1,1,0,0,0,0|2,0,0]=4 22 B16R2.33887 C/C=C(\C)/c1cc2ccccc2c(=O)[nH]1 AIFCHEM-94584216368 [1,1,0,0,0,0|1,0,0]=3 23 B18R2.8958 O=C(O)c1cc(cc2c1cccc2)C=CCO AIFCHEM-6398948873 [0,2,0,0,0,0|2,0,0]=4 24 B18R2.75286 CCCCC=Cc1cc2ccccc2c(n1)N AIFCHEM-5603569476 [0,2,0,0,0,0|2,0,0]=4 25 B18R2.146216 CCCC=Cc1cc(c2cc(ccc2c1)O)F AIFCHEM-6191712907 [0,2,0,0,0,0|2,0,0]=4 26 B18R2.126200 CCN(C)C(=O)c1cc2ccccc2c(=O)[nH]1 AIFCHEM-94558974997 [0,2,0,0,0,0|2,0,0]=4 27 B16R2.150 OCC=Cc1cnc(o1)c2ccccc2 AIFCHEM-6293807597 [0,0,1,1,0,0|2,0,0]=4 28 B16R2.87 O=C(O)c1ccccc1c2cccnc2 AIFCHEM-94520920465 [0,0,1,1,0,0|1,0,1]=4 29 B18R3.6548 Nc1nc(cc2c1cccc2)C3=CCOC3 AIFCHEM-5646749507 [0,1,0,1,0,0|2,0,0]=4 30 B18R3.6548 Nc1nc(cc2c1cccc2)C3=COCC3 AIFCHEM-5628130045 [0,1,0,1,0,0|2,0,0]=4 31 B18R3.6548 O=c1[nH]c(cc2c1cccc2)C3=CCNC3 AIFCHEM-6431790309 [0,1,0,1,0,0|1,0,0]=3 32 B18R3.6548 O=c1[nH]c(cc2c1cccc2)C3=COCC3 AIFCHEM-6445929486 [0,1,0,1,0,0|1,0,0]=3 33 B18R3.6548 Oc1cc(cc2c1cccc2)C3=COCC3 AIFCHEM-6456472642 [0,1,0,1,0,0|1,0,1]=4 34 B18R3.100898 Nc1cc(cc2c1cccc2)C=C3CCC3 AIFCHEM-5797676024 [0,1,0,1,0,0|2,0,0]=4 35 B18R3.100899 O=c1[nH]c(cc2c1cccc2)C=CC3CC3 AIFCHEM-94569112643 [0,1,0,1,0,0|1,0,0]=3 36 B14R2.67 OCC=Cc1cc2ccccc2[nH]1 AIFCHEM-6357676558 [1,0,0,0,1,0|2,0,0]=4 37 B14R2.67 OCC=Cc1cc2ccccc2o1 AIFCHEM-6397308996 [1,0,0,0,1,0|1,0,0]=3 38 B16R2.12192 O=c1[nH]nc(c2c1cccc2)C=CCO AIFCHEM-6323421342 [0,0,0,0,1,1|2,0,0]=4 39 B15R1.1159 CCOC=Cc1cc(ccc1C(=O)O)F AIFCHEM-94580711942 [1,1,1,0,0,0|1,0,0]=4 40 B15R1.1191 CCCC=Cc1ccccc1C(=O)OC AIFCHEM-94579938179 [1,1,1,0,0,0|0,0,1]=4 41 B15R2.888 CC=Cc1cc2ccccc2cc1O AIFCHEM-6404596270 [2,1,0,0,0,0|1,0,0]=4 42 B15R2.1290 CC=Cc1ccc2cccc(c2c1)O AIFCHEM-6397472782 [2,1,0,0,0,0|1,0,0]=4 43 B15R2.2220 CC=Cc1ncc2ccccc2c1N AIFCHEM-5617598826 [2,1,0,0,0,0|1,0,0]=4 44 B15R2.54379 CC=Cc1ccc2c(cccc2c1)N AIFCHEM-5894119533 [2,1,0,0,0,0|1,0,0]=4 45 B15R2.2203 CCCC=Cc1cc2ccccc2s1 AIFCHEM-6307938066 [1,1,0,0,1,0|0,1,0]=4 46 B15R2.2203 CCOC=Cc1cc2ccccc2[nH]1 AIFCHEM-6383421133 [1,1,0,0,1,0|1,0,0]=4 47 B15R2.2203 CCOC=Cc1cc2ccccc2o1 AIFCHEM-6485831003 [1,1,0,0,1,0|0,0,0]=3 48 B15R2.2203 COCC=Cc1cc2ccccc2s1 AIFCHEM-6370503126 [1,1,0,0,1,0|0,1,0]=4 49 B15R2.889 CC=Cc1[nH]c2ccccc2c1C=O AIFCHEM-6352563917 [1,1,0,0,1,0|1,0,0]=4 50 B17R2.19729 CC(O)C=Cc1ccc2ccc(cc2c1)O AIFCHEM-6417179969 [1,2,0,0,0,0|1,0,0]=4 51 B17R2.19759 CC(O)C=Cc1ccc2cc(ccc2c1)F AIFCHEM-6315800991 [1,2,0,0,0,0|1,0,0]=4 52 B17R2.19759 CC(O)C=Cc1ccc2cc(ccc2c1)N AIFCHEM-94593182951 [1,2,0,0,0,0|1,0,0]=4 53 B17R2.37485 CC(O)C=Cc1ccc2c(cccc2c1)O AIFCHEM-6429796179 [1,2,0,0,0,0|1,0,0]=4 54 B17R2.12116 CCCC=Cc1cc2ccccc2cc1N AIFCHEM-5687582849 [1,2,0,0,0,0|1,0,0]=4 55 B17R2.12116 COCC=Cc1cc2ccccc2cc1N AIFCHEM-94543835809 [1,2,0,0,0,0|1,0,0]=4 56 B17R2.12116 COCC=Cc1cc2ccccc2cc1O AIFCHEM-6428317553 [1,2,0,0,0,0|1,0,0]=4 57 B17R2.2015 COCC=Cc1ccc2ccc(cc2c1)N AIFCHEM-6153499630 [1,2,0,0,0,0|1,0,0]=4 58 B17R2.2015 COCC=Cc1ccc2ccc(cc2c1)O AIFCHEM-6456994824 [1,2,0,0,0,0|1,0,0]=4 59 B17R2.2023 CCCC=Cc1ccc2cccc(c2c1)O AIFCHEM-6397629517 [1,2,0,0,0,0|1,0,0]=4 60 B17R2.2708 CCCC=Cc1ncc2ccccc2c1N AIFCHEM-5610478089 [1,2,0,0,0,0|1,0,0]=4 61 B17R2.2708 CCOC=Cc1ccc2ccccc2c1F AIFCHEM-94580720271 [1,2,0,0,0,0|1,0,0]=4 62 B17R2.5879 CCCCC=Cc1ccc2ccccc2c1 AIFCHEM-6322077027 [1,2,0,0,0,0|1,0,0]=4 63 B17R2.73925 CCCC=Cc1ccc2cc(ccc2c1)O AIFCHEM-6447517799 [1,2,0,0,0,0|1,0,0]=4 64 B17R2.73925 COCC=Cc1ccc2cc(ccc2c1)O AIFCHEM-6424091623 [1,2,0,0,0,0|1,0,0]=4 65 B17R2.103529 COCC=Cc1ccc2c(cccc2c1)O AIFCHEM-6414159879 [1,2,0,0,0,0|1,0,0]=4 66 B17R2.4725 CC=Cc1cc(c2ccccc2c1)C(=O)O AIFCHEM-6473161373 [1,2,0,0,0,0|1,0,0]=4 67 B17R2.12118 CCOC=Cc1c[nH]c(=O)c2c1cccc2 AIFCHEM-94580721234 [0,1,0,0,1,1|1,0,0]=4 68 B19R2.18765 CCCC=Cc1cc(c2ccccc2c1)C(=O)O AIFCHEM-6396575061 [0,3,0,0,0,0|1,0,0]=4 69 B17R2.268 COCC=Cc1cnc(o1)c2ccccc2 AIFCHEM-6318362137 [0,1,1,1,0,0|1,0,0]=4 70 B17R2.146 O=C(O)c1cccc2c1[nH]cc2C=CCO AIFCHEM-6288087363 [0,1,1,1,0,0|1,0,0]=4 71 B17R2.3445 Cc1ncccc1c2ccccc2C(=O)O AIFCHEM-94535629311 [0,1,1,1,0,0|0,0,1]=4 72 B17R3.648661 C(=CC1CC1)c2cc3ccccc3cn2 AIFCHEM-94569113875 [1,1,0,1,0,0|1,0,0]=4 73 B17R3.1917 C1=C(CCC1)c2ccc3ccccc3c2 AIFCHEM-6322667786 [1,1,0,1,0,0|1,0,0]=4 74 B17R3.1917 C1=C(CCO1)c2ccc3ccccc3c2 AIFCHEM-6373795709 [1,1,0,1,0,0|1,0,0]=4 75 B17R3.123564 C(=C1CCC1)c2cc3ccccc3cn2 AIFCHEM-6430302387 [1,1,0,1,0,0|1,0,0]=4 76 B19R3.9171 O=c1[nH]c(cc2c1cccc2)C3=CCCCC3 AIFCHEM-6437681389 [0,2,0,1,0,0|1,0,0]=4 77 B19R3.9171 O=c1[nH]c(cc2c1cccc2)C3=CCCNC3 AIFCHEM-6462776613 [0,2,0,1,0,0|1,0,0]=4 78 B19R3.9171 O=c1[nH]c(cc2c1cccc2)C3=CCOCC3 AIFCHEM-6417194556 [0,2,0,1,0,0|1,0,0]=4 79 B19R3.460703 CC(=Cc1cc2ccccc2c(=O)[nH]1)C3CC3 AIFCHEM-6462784815 [0,2,0,1,0,0|1,0,0]=4 80 B13R2.26 CC=Cc1cc2ccccc2[nH]1 AIFCHEM-6292408953 [2,0,0,0,1,0|1,0,0]=4 81 B13R2.26 CC=Cc1cc2ccccc2o1 AIFCHEM-6485783759 [2,0,0,0,1,0|0,0,0]=3