0 B14R1.156 CCCNC(=O)COc1ccccn1 AIFCHEM-5815026704 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.156 CCCNC(=O)CSc1ccccc1 AIFCHEM-94521372545 [0,0,0,0,0,0|2,0,1]=3 2 B15R1.78 CCCNCC(=O)OCc1ccccc1 AIFCHEM-94569013856 [0,1,0,0,0,0|2,0,1]=4 3 B15R1.78 CCCOCC(=O)NCc1ccccc1 AIFCHEM-5876740065 [0,1,0,0,0,0|1,0,1]=3 4 B15R1.78 COCCNC(=O)COc1ccccc1 AIFCHEM-6017076951 [0,1,0,0,0,0|2,0,1]=4 5 B15R1.78 CSCCNC(=O)CCc1ccccc1 AIFCHEM-94598931451 [0,1,0,0,0,0|1,0,2]=4 6 B15R1.78 CSCCNC(=O)COc1ccccc1 AIFCHEM-5882541722 [0,1,0,0,0,0|2,0,1]=4 7 B15R1.78 CSCCNC(=O)CSc1ccccc1 AIFCHEM-94598925315 [0,1,0,0,0,0|2,0,1]=4 8 B15R1.127 CCCCC(=O)NCc1cccc(c1)C AIFCHEM-94534075228 [0,1,0,0,0,0|2,0,1]=4 9 B15R1.127 CCCNC(=O)CCc1cccc(c1)C AIFCHEM-5792003163 [0,1,0,0,0,0|1,0,2]=4 10 B15R1.139 CCCCC(=O)NCc1ccc(cc1)C AIFCHEM-94534099934 [0,1,0,0,0,0|2,0,1]=4 11 B15R1.139 CCCNC(=O)C#Cc1ccc(cc1)Br AIFCHEM-94521376855 [0,1,0,0,0,0|1,0,2]=4 12 B15R1.139 CCCNC(=O)C#Cc1ccc(cc1)F AIFCHEM-5791662389 [0,1,0,0,0,0|1,0,2]=4 13 B15R1.139 CCCNC(=O)COc1ccc(cc1)Cl AIFCHEM-94521373460 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.139 CCCNC(=O)CSc1ccc(cc1)F AIFCHEM-94521377560 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.551 CCCNC(=O)C(O)Cc1ccccc1 AIFCHEM-94573426371 [0,1,0,0,0,0|1,0,2]=4 16 B15R1.551 CCCNC(=O)[C@@H](O)Cc1ccccc1 AIFCHEM-94521376007 [0,1,0,0,0,0|1,0,2]=4 17 B15R1.551 CCCNC(=O)[C@H](O)Cc1ccccc1 AIFCHEM-94521380286 [0,1,0,0,0,0|1,0,2]=4 18 B15R1.1208 CCCCC(=O)NCc1ccccc1O AIFCHEM-94592066588 [0,1,0,0,0,0|2,0,1]=4 19 B15R1.1208 CCCNC(=O)CCc1ccccc1C AIFCHEM-94521376435 [0,1,0,0,0,0|1,0,2]=4 20 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 AIFCHEM-94563731673 [0,1,0,0,0,0|1,0,2]=4 21 B15R2.352 CCCNc1ccc2cccnc2c1 AIFCHEM-94559314503 [0,0,0,1,0,0|3,0,0]=4 22 B15R2.352 CCCNc1ccc2ncccc2c1 AIFCHEM-94569020219 [0,0,0,1,0,0|3,0,0]=4 23 B15R2.352 CCCNc1cnc2ccccc2n1 AIFCHEM-94569019759 [0,0,0,1,0,0|3,0,0]=4 24 B15R2.505 CC1CC1C(=O)NCc2ccccc2 AIFCHEM-94539156284 [0,0,0,1,0,0|2,0,1]=4 25 B15R2.505 C[C@@H]1C[C@H]1C(=O)NCc2ccccc2 AIFCHEM-5855539913 [0,0,0,1,0,0|2,0,1]=4 26 B15R2.505 C[C@H]1C[C@@H]1C(=O)NCc2ccccc2 AIFCHEM-94554636908 [0,0,0,1,0,0|2,0,1]=4 27 B15R2.9941 CCNc1c(ccc2c1cccc2)Cl AIFCHEM-94537414897 [0,0,0,1,0,0|3,0,0]=4 28 B15R2.24490 O=C(CCc1ccccc1)N2CCC2 AIFCHEM-94604931541 [0,0,0,1,0,0|1,0,2]=4 29 B15R2.24494 O=C(C#Cc1ccccc1)NC2CC2 AIFCHEM-94573326393 [0,0,0,1,0,0|1,0,2]=4 30 B15R2.24494 O=C(CCc1ccccc1)NC2CC2 AIFCHEM-6146410233 [0,0,0,1,0,0|1,0,2]=4 31 B13R1.44 CCCCC(=O)Nc1ccccn1 AIFCHEM-94586363259 [0,0,0,0,1,0|3,0,0]=4 32 B13R1.44 CCCCC(=O)Nc1ccncc1 AIFCHEM-94534099520 [0,0,0,0,1,0|3,0,0]=4 33 B15R1.157 CCCNC(=O)CCSc1ccccc1 AIFCHEM-94521378896 [0,0,0,0,0,1|1,0,2]=4 34 B14R1.14 CCCCCC=Cc1ccc(cc1)O AIFCHEM-94601034120 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.882 CCCCCC=Cc1ccccc1N AIFCHEM-5980979062 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.818 CC(O)CC(=O)NCc1ccccc1 AIFCHEM-94554639641 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158680 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.818 C[C@H](O)CC(=O)NCc1ccccc1 AIFCHEM-94539158619 [1,1,0,0,0,0|1,0,1]=4 39 B14R1.33 CCCCC(=O)Nc1ccc(cc1)Br AIFCHEM-94608720893 [0,1,0,0,1,0|2,0,0]=4 40 B14R1.33 CCCCC(=O)Nc1ccc(cc1)I AIFCHEM-94534108884 [0,1,0,0,1,0|2,0,0]=4 41 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br AIFCHEM-94521375627 [0,1,0,0,1,0|1,0,1]=4 42 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C AIFCHEM-94521379642 [0,1,0,0,1,0|1,0,1]=4 43 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O AIFCHEM-94521374824 [0,1,0,0,1,0|1,0,1]=4 44 B14R1.166 CCCCC(=O)N(C)c1ccccc1 AIFCHEM-94534075227 [0,1,0,0,1,0|2,0,0]=4 45 B14R1.166 CCCNC(=O)C(O)c1ccccc1 AIFCHEM-5875709630 [0,1,0,0,1,0|1,0,1]=4 46 B14R1.166 CCCNC(=O)[C@@H](O)c1ccccc1 AIFCHEM-94521375229 [0,1,0,0,1,0|1,0,1]=4 47 B14R1.166 CCCNC(=O)[C@H](O)c1ccccc1 AIFCHEM-94521379556 [0,1,0,0,1,0|1,0,1]=4 48 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 AIFCHEM-94552045876 [0,1,0,0,1,0|2,0,0]=4 49 B14R1.946 CCCCC(=O)Nc1ccccc1O AIFCHEM-94534110253 [0,1,0,0,1,0|2,0,0]=4 50 B14R1.946 CCCNC(=O)Cc1ccccc1Br AIFCHEM-94521375596 [0,1,0,0,1,0|1,0,1]=4 51 B14R1.946 CCCNC(=O)Cc1ccccc1I AIFCHEM-94521375595 [0,1,0,0,1,0|1,0,1]=4 52 B16R1.8 CCCOC(=O)CNCc1ccc(cc1)C AIFCHEM-94602829458 [0,1,0,0,0,1|0,0,2]=4 53 B16R1.8 CCCOC(=O)CNCc1ccc(cc1)F AIFCHEM-94602833312 [0,1,0,0,0,1|0,0,2]=4 54 B16R1.700 CCCOC(=O)CNC(=O)c1ccncc1 AIFCHEM-94602842743 [0,1,0,0,0,1|1,0,1]=4 55 B16R1.1694 C#CCCNC(=O)C/C=C/c1ccccc1 AIFCHEM-94541766169 [0,1,0,0,0,1|1,0,1]=4 56 B16R1.1694 COCCNC(=O)C/C=C/c1cccnc1 AIFCHEM-94572191674 [0,1,0,0,0,1|2,0,0]=4 57 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 AIFCHEM-5720469664 [0,1,0,0,0,1|1,0,1]=4 58 B16R1.4473 CCCOC(=O)CNCc1ccccc1Br AIFCHEM-94602834466 [0,1,0,0,0,1|0,0,2]=4 59 B16R1.4473 CCCOC(=O)CNCc1ccccc1O AIFCHEM-94602835551 [0,1,0,0,0,1|0,0,2]=4 60 B16R1.1696 CCCOCC(=O)NCc1ccccc1O AIFCHEM-94592072877 [0,2,0,0,0,0|1,0,1]=4 61 B14R2.21 O=C1C=C(CCC1)c2ccccc2 AIFCHEM-94590915155 [1,0,0,1,0,0|0,0,0]=2 62 B14R2.21 O=C1C=C(CCC1)c2cccnn2 AIFCHEM-6335577326 [1,0,0,1,0,0|2,0,0]=4 63 B14R2.21 O=C1C=C(CCC1)c2ccncn2 AIFCHEM-6290101009 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.343 CC1CC1C(=O)Nc2ccccc2 AIFCHEM-94577033582 [0,0,0,1,1,0|2,0,0]=4 65 B14R2.343 C[C@@H]1C[C@H]1C(=O)Nc2ccccc2 AIFCHEM-94552045696 [0,0,0,1,1,0|2,0,0]=4 66 B14R2.343 C[C@H]1C[C@@H]1C(=O)Nc2ccccc2 AIFCHEM-94577030883 [0,0,0,1,1,0|2,0,0]=4 67 B16R2.37 CCCNC(=O)c1c[nH]c2c1cccc2 AIFCHEM-5793472815 [0,0,0,1,0,1|1,0,0]=3 68 B16R2.37 CCCNC(=O)c1c[nH]c2c1nccc2 AIFCHEM-94521380925 [0,0,0,1,0,1|2,0,0]=4 69 B16R2.37 CCCNC(=O)c1onc2c1cccc2 AIFCHEM-94521379791 [0,0,0,1,0,1|2,0,0]=4 70 B16R2.37 O=C(NCCF)c1c[nH]c2c1cccc2 AIFCHEM-5871314306 [0,0,0,1,0,1|2,0,0]=4 71 B16R2.150 CCCNc1nc(co1)c2ccccc2 AIFCHEM-94569017404 [0,0,0,1,0,1|2,0,0]=4 72 B16R2.150 CCCNc1nc(cs1)c2ccccc2 AIFCHEM-94569014939 [0,0,0,1,0,1|2,0,0]=4 73 B16R2.1285 CCCNc1ccc2ccc(cc2c1)Br AIFCHEM-94569020346 [0,1,0,1,0,0|2,0,0]=4 74 B16R2.1285 CCCNc1ccc2ccc(cc2c1)O AIFCHEM-94569019420 [0,1,0,1,0,0|2,0,0]=4 75 B16R2.1056 CCCNc1cc2ccccc2cc1Cl AIFCHEM-94596720894 [0,1,0,1,0,0|2,0,0]=4 76 B16R2.2128 CCCNC(=O)c1cc2ccccn2n1 AIFCHEM-94521379722 [0,1,0,1,0,0|2,0,0]=4 77 B16R2.163604 CCCNc1ccc2c(cccc2n1)Br AIFCHEM-94569017627 [0,1,0,1,0,0|2,0,0]=4 78 B12R1.32 O=C(CCO)Nc1ccccc1 AIFCHEM-94552044770 [1,0,0,0,1,0|2,0,0]=4 79 B12R1.30 CCCNC(=O)c1ccccc1 AIFCHEM-94565582226 [0,0,0,0,2,0|1,0,0]=3