0 B12R1.43 CC(=O)N(C)Cc1ccncc1 AIFCHEM-94531380102 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [1,0,0,0,0,0|1,0,2]=4 2 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O AIFCHEM-5781434716 [0,1,0,0,0,0|1,0,1]=3 4 B13R1.135 CCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536109342 [0,1,0,0,0,0|1,0,1]=3 5 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl AIFCHEM-94535596079 [0,1,0,0,0,0|1,0,1]=3 6 B13R1.202 CC(=O)N(C)Cc1ccccc1O AIFCHEM-94535597948 [0,1,0,0,0,0|1,0,1]=3 7 B13R1.418 CCN(Cc1cccnc1)C(=O)C AIFCHEM-94605351835 [0,1,0,0,0,0|2,0,1]=4 8 B13R2.435 CC(=O)N1Cc2ccccc2C1 AIFCHEM-94605352066 [0,0,0,1,0,0|1,0,1]=3 9 B13R2.444 CC(=Cc1cccnc1)C2CC2 AIFCHEM-6317718122 [0,0,0,1,0,0|2,0,1]=4 10 B11R1.36 CC(=O)N(C)c1ccccn1 AIFCHEM-94605353384 [0,0,0,0,1,0|2,0,0]=3 11 B11R1.36 CC(=O)N(C)c1cccnc1 AIFCHEM-6180237801 [0,0,0,0,1,0|2,0,0]=3 12 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [2,0,0,0,0,0|0,0,0]=2 13 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.21 CC(O)C=Cc1ccc(cc1)O AIFCHEM-94601033022 [1,1,0,0,0,0|0,0,2]=4 16 B12R1.21 Cc1ccc(cc1)C=CC(C)O AIFCHEM-94528939842 [1,1,0,0,0,0|0,0,2]=4 17 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [1,1,0,0,0,0|1,0,1]=4 18 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [1,1,0,0,0,0|1,0,1]=4 19 B12R1.125 CC(O)C=Cc1ccccc1F AIFCHEM-6194306919 [1,1,0,0,0,0|0,0,2]=4 20 B12R1.891 CC(C)(C)C=Cc1ccccc1 AIFCHEM-94590917879 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.891 CC(C)(O)C=Cc1ccccc1 AIFCHEM-94590917375 [1,1,0,0,0,0|0,0,2]=4 22 B12R1.20 CC(=O)N(C)c1ccc(cc1)I AIFCHEM-5731761315 [0,1,0,0,1,0|1,0,0]=3 23 B12R1.20 CC(=O)N(C)c1ccc(nc1)C AIFCHEM-5897531248 [0,1,0,0,1,0|2,0,0]=4 24 B12R1.124 CC(=O)N(C)c1ccccc1F AIFCHEM-94605348690 [0,1,0,0,1,0|1,0,0]=3 25 B12R1.124 CC(=O)N(C)c1ccccc1O AIFCHEM-94535598018 [0,1,0,0,1,0|1,0,0]=3 26 B12R1.225 CC(=O)N(C)c1cccc(c1)F AIFCHEM-94535593371 [0,1,0,0,1,0|1,0,0]=3 27 B12R1.225 CC(=O)N(C)c1cncc(c1)Br AIFCHEM-94535600272 [0,1,0,0,1,0|2,0,0]=4 28 B14R1.415 CC(=O)C(C)NC(=O)c1cccnc1 AIFCHEM-6141470322 [0,1,0,0,0,1|1,0,1]=4 29 B14R1.132 CC(=O)N(C)C(C)c1ccc(cc1)F AIFCHEM-5836786230 [0,2,0,0,0,0|1,0,1]=4 30 B14R1.132 CC(=O)N(C)[C@@H](C)c1ccc(cc1)Cl AIFCHEM-94535593615 [0,2,0,0,0,0|1,0,1]=4 31 B14R1.134 CCC(=O)N(C)Cc1ccc(cc1)Br AIFCHEM-94526509795 [0,2,0,0,0,0|1,0,1]=4 32 B14R1.134 CN(Cc1ccc(cc1)F)C(=O)CO AIFCHEM-94532682393 [0,2,0,0,0,0|1,0,1]=4 33 B14R1.536 CCN(Cc1ccc(cc1)C)C(=O)C AIFCHEM-98288636491 [0,2,0,0,0,0|1,0,1]=4 34 B14R1.536 CCN(Cc1ccc(cc1)I)C(=O)C AIFCHEM-94686391581 [0,2,0,0,0,0|1,0,1]=4 35 B14R1.686 CC(=O)N(C)Cc1ccc(c(c1)O)O AIFCHEM-94605337230 [0,2,0,0,0,0|1,0,1]=4 36 B14R1.6049 CC(=O)N(C)Cc1ccc(cc1F)Br AIFCHEM-5998058153 [0,2,0,0,0,0|1,0,1]=4 37 B14R1.60 C#CCC(=O)N(C)Cc1ccccc1 AIFCHEM-6228521061 [0,2,0,0,0,0|1,0,1]=4 38 B14R1.135 CCC(=O)N(C)Cc1cccc(c1)F AIFCHEM-94526511643 [0,2,0,0,0,0|1,0,1]=4 39 B14R1.1007 CCC(=O)N(C)Cc1ccccc1F AIFCHEM-94526507086 [0,2,0,0,0,0|1,0,1]=4 40 B14R1.1007 CCC(=O)N(C)Cc1ccccc1O AIFCHEM-94526508870 [0,2,0,0,0,0|1,0,1]=4 41 B14R1.1007 CN(Cc1ccccc1Cl)C(=O)CO AIFCHEM-94532918016 [0,2,0,0,0,0|1,0,1]=4 42 B14R1.1007 CN(Cc1ccccc1O)C(=O)CO AIFCHEM-94532684075 [0,2,0,0,0,0|1,0,1]=4 43 B14R1.75 COc1cccc(c1)CN(C)C(=O)C AIFCHEM-5677985105 [0,2,0,0,0,0|1,0,1]=4 44 B14R1.542 CCN(Cc1cccc(c1)I)C(=O)C AIFCHEM-99350867976 [0,2,0,0,0,0|1,0,1]=4 45 B14R1.4474 CC(=O)N(C)Cc1cc(ccc1O)Br AIFCHEM-94535592029 [0,2,0,0,0,0|1,0,1]=4 46 B14R1.4474 CC(=O)N(C)Cc1cc(ccc1O)Cl AIFCHEM-94535596049 [0,2,0,0,0,0|1,0,1]=4 47 B14R1.4474 CC(=O)N(C)Cc1cc(ccc1O)F AIFCHEM-94535595054 [0,2,0,0,0,0|1,0,1]=4 48 B14R1.550 CCN(Cc1ccccc1Br)C(=O)C AIFCHEM-99350400888 [0,2,0,0,0,0|1,0,1]=4 49 B14R1.550 CCN(Cc1ccccc1C)C(=O)C AIFCHEM-94685508522 [0,2,0,0,0,0|1,0,1]=4 50 B14R1.550 CCN(Cc1ccccc1Cl)C(=O)C AIFCHEM-98290593838 [0,2,0,0,0,0|1,0,1]=4 51 B14R1.550 CCN(Cc1ccccc1F)C(=O)C AIFCHEM-94685142103 [0,2,0,0,0,0|1,0,1]=4 52 B14R1.550 CCN(Cc1ccccc1I)C(=O)C AIFCHEM-99350997101 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.550 CCN(Cc1ccccc1O)C(=O)C AIFCHEM-94535588629 [0,2,0,0,0,0|1,0,1]=4 54 B12R2.2058 C(=C1CCC1)c2ccccc2 AIFCHEM-6322825111 [1,0,0,1,0,0|0,0,1]=3 55 B12R2.2058 C(=C1CCC1)c2ccccn2 AIFCHEM-6358671053 [1,0,0,1,0,0|1,0,1]=4 56 B12R2.2058 C(=C1CCC1)c2cccnc2 AIFCHEM-6427719025 [1,0,0,1,0,0|1,0,1]=4 57 B14R2.598 Cc1cc(c(s1)C)c2ccncc2 AIFCHEM-94603946669 [0,0,0,1,0,1|2,0,0]=4 58 B14R2.598 Cc1cc(c(s1)c2cccnc2)C AIFCHEM-94520911851 [0,0,0,1,0,1|1,1,0]=4 59 B14R2.768 CC(=Cc1cc2ccccc2s1)C AIFCHEM-6367873639 [0,0,0,1,0,1|2,0,0]=4 60 B14R2.768 CC(=O)Nc1cn2ccccc2n1 AIFCHEM-6048753485 [0,0,0,1,0,1|2,0,0]=4 61 B14R2.768 CC(=O)Nc1nc2ccccc2[nH]1 AIFCHEM-94605357779 [0,0,0,1,0,1|2,0,0]=4 62 B14R2.949 CC(=Cc1ccc(cc1)N)C2CC2 AIFCHEM-94608718634 [0,1,0,1,0,0|1,0,1]=4 63 B14R2.972 C/C=C(\C)/c1cc2ccccc2s1 AIFCHEM-94584217860 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.7969 CC(=O)N1Cc2cccc(c2C1)Br AIFCHEM-6043239363 [0,1,0,1,0,0|1,0,1]=4 65 B14R2.7969 CC(=O)N1Cc2cccc(c2C1)Cl AIFCHEM-94605357678 [0,1,0,1,0,0|1,0,1]=4 66 B14R2.7969 CC(=O)N1Cc2cccc(c2C1)O AIFCHEM-94535599069 [0,1,0,1,0,0|1,0,1]=4 67 B14R2.9059 CC(=Cc1cccc(c1)C)C2CC2 AIFCHEM-94543495622 [0,1,0,1,0,0|1,0,1]=4 68 B14R2.9059 CC(=Cc1cccc(c1)N)C2CC2 AIFCHEM-5596610750 [0,1,0,1,0,0|1,0,1]=4 69 B14R2.4621 CC(=Cc1ccccc1N)C2CC2 AIFCHEM-94569938709 [0,1,0,1,0,0|1,0,1]=4 70 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [1,0,0,0,1,0|1,0,0]=3 71 B10R1.15 C/C=C(\C)/c1cccnn1 AIFCHEM-94584222994 [1,0,0,0,1,0|2,0,0]=4 72 B10R1.15 C/C=C(\C)/c1cnccn1 AIFCHEM-94584219793 [1,0,0,0,1,0|2,0,0]=4 73 B14R1.423 CC(=O)OCC(C)Nc1ccccc1 AIFCHEM-94552036509 [0,0,0,0,0,2|1,0,1]=4 74 B14R1.6449 CC(=O)N(C)C/C=C/c1ccccc1 AIFCHEM-94535599825 [0,0,0,0,0,2|1,0,0]=3 75 B14R1.6449 CC(=O)N(C)CC=Cc1ccccc1 AIFCHEM-5879793677 [0,0,0,0,0,2|1,0,0]=3