0 B12R1.43 CC(=O)N(C)Cc1ccncc1 AIFCHEM-94531380102 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O AIFCHEM-5781434716 [0,1,0,0,0,0|3,0,0]=4 3 B13R1.135 CCC(=O)N(C)Cc1ccccc1 AIFCHEM-94536109342 [0,1,0,0,0,0|3,0,0]=4 4 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl AIFCHEM-94535596079 [0,1,0,0,0,0|3,0,0]=4 5 B13R1.202 CC(=O)N(C)Cc1ccccc1O AIFCHEM-94535597948 [0,1,0,0,0,0|3,0,0]=4 6 B13R2.435 CC(=O)N1Cc2ccccc2C1 AIFCHEM-94605352066 [0,0,0,1,0,0|3,0,0]=4 7 B13R1.351 CC(NCc1ccccn1)C(=O)N AIFCHEM-94533815579 [0,0,0,0,0,1|3,0,0]=4 8 B13R1.351 CC(NCc1ccccn1)C(=O)O AIFCHEM-5925680065 [0,0,0,0,0,1|2,0,0]=3 9 B13R1.351 CC(NCc1ccncc1)C(=O)N AIFCHEM-94533821178 [0,0,0,0,0,1|3,0,0]=4 10 B13R1.351 CC(NCc1cncnc1)C(=O)O AIFCHEM-5965063463 [0,0,0,0,0,1|3,0,0]=4 11 B13R1.351 CC(NCc1ncccn1)C(=O)O AIFCHEM-5977276842 [0,0,0,0,0,1|3,0,0]=4 12 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)N AIFCHEM-5944531962 [0,0,0,0,0,1|3,0,0]=4 13 B13R1.351 C[C@@H](NCc1ccccn1)C(=O)O AIFCHEM-5953478126 [0,0,0,0,0,1|2,0,0]=3 14 B13R1.351 C[C@@H](NCc1cccnn1)C(=O)O AIFCHEM-5951697881 [0,0,0,0,0,1|3,0,0]=4 15 B13R1.351 C[C@@H](NCc1ccncc1)C(=O)N AIFCHEM-94551555100 [0,0,0,0,0,1|3,0,0]=4 16 B13R1.351 C[C@@H](NCc1ncccn1)C(=O)O AIFCHEM-5941199599 [0,0,0,0,0,1|3,0,0]=4 17 B13R1.351 C[C@H](NCc1ccccn1)C(=O)N AIFCHEM-5743691131 [0,0,0,0,0,1|3,0,0]=4 18 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O AIFCHEM-5779044733 [0,0,0,0,0,1|2,0,0]=3 19 B13R1.351 C[C@H](NCc1cccnn1)C(=O)O AIFCHEM-94576653562 [0,0,0,0,0,1|3,0,0]=4 20 B13R1.351 C[C@H](NCc1ccncc1)C(=O)N AIFCHEM-5691199121 [0,0,0,0,0,1|3,0,0]=4 21 B13R1.351 C[C@H](NCc1cncnc1)C(=O)O AIFCHEM-94576648761 [0,0,0,0,0,1|3,0,0]=4 22 B13R1.351 C[C@H](NCc1ncccn1)C(=O)O AIFCHEM-94576651738 [0,0,0,0,0,1|3,0,0]=4 23 B12R1.27 O=C(CO)NCc1cccnc1 AIFCHEM-6213017725 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.27 O=C(CO)NCc1ccncc1 AIFCHEM-94532684529 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.125 CC(=O)NCc1ccccc1Br AIFCHEM-94605352816 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.125 CC(=O)NCc1ccccc1O AIFCHEM-94535601059 [1,1,0,0,0,0|2,0,0]=4 27 B14R1.337 CN(CC(=O)O)Cc1ccccc1I AIFCHEM-5621192175 [0,1,0,0,0,1|2,0,0]=4 28 B14R1.337 CN(CC(=O)O)Cc1ccccc1O AIFCHEM-94554261915 [0,1,0,0,0,1|2,0,0]=4 29 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)F AIFCHEM-5598039403 [0,1,0,0,0,1|2,0,0]=4 30 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)I AIFCHEM-5621291761 [0,1,0,0,0,1|2,0,0]=4 31 B14R1.161 CC(NCc1ccccc1O)C(=O)N AIFCHEM-94532466025 [0,1,0,0,0,1|2,0,0]=4 32 B14R1.161 CC(NCc1ccccc1O)C(=O)O AIFCHEM-94532464066 [0,1,0,0,0,1|1,0,0]=3 33 B14R1.161 CC(NCc1cccnc1Cl)C(=O)O AIFCHEM-5957556351 [0,1,0,0,0,1|2,0,0]=4 34 B14R1.161 CC(NCc1cccnc1F)C(=O)O AIFCHEM-5965167256 [0,1,0,0,0,1|2,0,0]=4 35 B14R1.161 CC(NCc1ccncc1Br)C(=O)O AIFCHEM-5925509653 [0,1,0,0,0,1|2,0,0]=4 36 B14R1.161 CC(NCc1ccncc1Cl)C(=O)O AIFCHEM-5965130657 [0,1,0,0,0,1|2,0,0]=4 37 B14R1.161 CC(NCc1ccncc1F)C(=O)O AIFCHEM-5965201519 [0,1,0,0,0,1|2,0,0]=4 38 B14R1.161 C[C@@H](NCc1ccccc1O)C(=O)N AIFCHEM-94532464763 [0,1,0,0,0,1|2,0,0]=4 39 B14R1.161 C[C@@H](NCc1ccccc1O)C(=O)O AIFCHEM-94532464536 [0,1,0,0,0,1|1,0,0]=3 40 B14R1.161 C[C@@H](NCc1ccncc1Br)C(=O)O AIFCHEM-5978449349 [0,1,0,0,0,1|2,0,0]=4 41 B14R1.161 C[C@@H](NCc1ccncc1Cl)C(=O)O AIFCHEM-5978439732 [0,1,0,0,0,1|2,0,0]=4 42 B14R1.161 C[C@H](NCc1ccccc1O)C(=O)N AIFCHEM-94532464451 [0,1,0,0,0,1|2,0,0]=4 43 B14R1.161 C[C@H](NCc1ccccc1O)C(=O)O AIFCHEM-94576655007 [0,1,0,0,0,1|1,0,0]=3 44 B14R1.161 C[C@H](NCc1cccnc1Cl)C(=O)O AIFCHEM-5706507139 [0,1,0,0,0,1|2,0,0]=4 45 B14R1.161 C[C@H](NCc1cccnc1F)C(=O)O AIFCHEM-5705264466 [0,1,0,0,0,1|2,0,0]=4 46 B14R1.161 C[C@H](NCc1ccncc1Br)C(=O)O AIFCHEM-94576654107 [0,1,0,0,0,1|2,0,0]=4 47 B14R1.161 C[C@H](NCc1ccncc1Cl)C(=O)O AIFCHEM-5733746305 [0,1,0,0,0,1|2,0,0]=4 48 B14R1.161 C[C@H](NCc1ccncc1F)C(=O)O AIFCHEM-5736534847 [0,1,0,0,0,1|2,0,0]=4 49 B14R1.161 Cc1ccccc1CNC(O)C(=O)O AIFCHEM-5632956572 [0,1,0,0,0,1|1,0,0]=3 50 B14R1.161 O=C(O)C(O)NCc1ccccc1Br AIFCHEM-5633135742 [0,1,0,0,0,1|1,0,0]=3 51 B14R1.161 O=C(O)C(O)NCc1ccccc1F AIFCHEM-5676109639 [0,1,0,0,0,1|1,0,0]=3 52 B14R1.161 O=C(O)C(O)NCc1ccccc1O AIFCHEM-94532466047 [0,1,0,0,0,1|1,0,0]=3 53 B14R1.161 O=C(O)C(O)NCc1ncccc1Cl AIFCHEM-5593303544 [0,1,0,0,0,1|2,0,0]=4 54 B14R1.161 O=C(O)C(O)NCc1ncccc1O AIFCHEM-5676252419 [0,1,0,0,0,1|2,0,0]=4 55 B14R1.415 CC(N[C@H](C)C(=O)O)c1ccccc1 AIFCHEM-94560528691 [0,1,0,0,0,1|1,0,0]=3 56 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)O AIFCHEM-5977398856 [0,1,0,0,0,1|1,0,0]=3 57 B14R1.679 CC(NCc1ccc(cc1)O)C(=O)O AIFCHEM-5926915502 [0,1,0,0,0,1|1,0,0]=3 58 B14R1.679 CC(NCc1ccc(nc1)F)C(=O)O AIFCHEM-5957866348 [0,1,0,0,0,1|2,0,0]=4 59 B14R1.679 C[C@@H](NCc1ccc(cc1)Cl)C(=O)O AIFCHEM-5951915489 [0,1,0,0,0,1|1,0,0]=3 60 B14R1.679 C[C@@H](NCc1ccc(cc1)O)C(=O)O AIFCHEM-5941501132 [0,1,0,0,0,1|1,0,0]=3 61 B14R1.679 C[C@H](NCc1ccc(cc1)Cl)C(=O)O AIFCHEM-5706835222 [0,1,0,0,0,1|1,0,0]=3 62 B14R1.679 C[C@H](NCc1ccc(cc1)O)C(=O)O AIFCHEM-5779135966 [0,1,0,0,0,1|1,0,0]=3 63 B14R1.679 C[C@H](NCc1ccc(nc1)F)C(=O)O AIFCHEM-94576653992 [0,1,0,0,0,1|2,0,0]=4 64 B14R1.679 O=C(O)C(O)NCc1ccc(nc1)Br AIFCHEM-5593721123 [0,1,0,0,0,1|2,0,0]=4 65 B14R1.679 O=C(O)C(O)NCc1ccc(nc1)Cl AIFCHEM-5593265841 [0,1,0,0,0,1|2,0,0]=4 66 B14R1.679 O=C(O)C(O)NCc1ccc(nc1)F AIFCHEM-5633078794 [0,1,0,0,0,1|2,0,0]=4 67 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)N AIFCHEM-94533818379 [0,1,0,0,0,1|2,0,0]=4 68 B14R1.5956 CC(NCc1cccc(c1)I)C(=O)O AIFCHEM-5965154711 [0,1,0,0,0,1|1,0,0]=3 69 B14R1.5956 CC(NCc1cccc(n1)F)C(=O)O AIFCHEM-5965231492 [0,1,0,0,0,1|2,0,0]=4 70 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N AIFCHEM-5930545073 [0,1,0,0,0,1|2,0,0]=4 71 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)O AIFCHEM-5953431549 [0,1,0,0,0,1|1,0,0]=3 72 B14R1.5956 C[C@@H](NCc1cccc(n1)F)C(=O)O AIFCHEM-5953916387 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.5956 C[C@H](NCc1cccc(c1)Br)C(=O)N AIFCHEM-5750157428 [0,1,0,0,0,1|2,0,0]=4 74 B14R1.5956 C[C@H](NCc1cccc(c1)I)C(=O)O AIFCHEM-94576654075 [0,1,0,0,0,1|1,0,0]=3 75 B14R1.5956 C[C@H](NCc1cccc(n1)F)C(=O)O AIFCHEM-5706566613 [0,1,0,0,0,1|2,0,0]=4 76 B14R1.5956 Cc1cccc(c1)CNC(C)C(=O)O AIFCHEM-5965190453 [0,1,0,0,0,1|1,0,0]=3 77 B14R1.5956 Cc1cccc(c1)CNC(O)C(=O)O AIFCHEM-5675119764 [0,1,0,0,0,1|1,0,0]=3 78 B14R1.5956 Cc1cccc(c1)CN[C@@H](C)C(=O)O AIFCHEM-94576653683 [0,1,0,0,0,1|1,0,0]=3 79 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)O AIFCHEM-5914661340 [0,1,0,0,0,1|1,0,0]=3 80 B14R1.5956 Cc1cccc(n1)CNC(O)C(=O)O AIFCHEM-5632788655 [0,1,0,0,0,1|2,0,0]=4 81 B14R1.5956 Cc1ccnc(c1)CNC(C)C(=O)O AIFCHEM-5907384478 [0,1,0,0,0,1|2,0,0]=4 82 B14R1.5956 Cc1ccnc(c1)CN[C@@H](C)C(=O)O AIFCHEM-5760466605 [0,1,0,0,0,1|2,0,0]=4 83 B14R1.5956 Cc1ccnc(c1)CN[C@H](C)C(=O)O AIFCHEM-5951566133 [0,1,0,0,0,1|2,0,0]=4 84 B14R1.5956 Cc1cncc(c1)CNC(C)C(=O)O AIFCHEM-5977364139 [0,1,0,0,0,1|2,0,0]=4 85 B14R1.5956 Cc1cncc(c1)CN[C@@H](C)C(=O)O AIFCHEM-94576648769 [0,1,0,0,0,1|2,0,0]=4 86 B14R1.5956 Cc1cncc(c1)CN[C@H](C)C(=O)O AIFCHEM-5953575832 [0,1,0,0,0,1|2,0,0]=4 87 B14R1.5956 O=C(O)C(O)NCc1cc(ccn1)Cl AIFCHEM-5649382473 [0,1,0,0,0,1|2,0,0]=4 88 B14R1.5956 O=C(O)C(O)NCc1cccc(c1)Cl AIFCHEM-5641307256 [0,1,0,0,0,1|1,0,0]=3 89 B14R1.5956 O=C(O)C(O)NCc1cncc(c1)Br AIFCHEM-5632574663 [0,1,0,0,0,1|2,0,0]=4 90 B14R1.134 CN(Cc1ccc(cc1)F)C(=O)CO AIFCHEM-94532682393 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.1007 CN(Cc1ccccc1Cl)C(=O)CO AIFCHEM-94532918016 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.1007 CN(Cc1ccccc1O)C(=O)CO AIFCHEM-94532684075 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.252 NC(=O)CNCc1cccnc1 AIFCHEM-94550118278 [1,0,0,0,0,1|2,0,0]=4 94 B12R1.252 O=C(O)CNCc1cccnc1 AIFCHEM-94542885083 [1,0,0,0,0,1|1,0,0]=3 95 B12R1.252 O=C(O)CNCc1cncnc1 AIFCHEM-5888748286 [1,0,0,0,0,1|2,0,0]=4 96 B14R1.423 CC(Cc1ccccn1)NCC(=O)O AIFCHEM-5970528160 [0,0,0,0,0,2|2,0,0]=4 97 B14R1.818 CC(CC(=O)O)NCc1ccccn1 AIFCHEM-94575292589 [0,0,0,0,0,2|2,0,0]=4 98 B14R1.818 C[C@@H](CC(=O)O)NCc1ccccn1 AIFCHEM-94577114846 [0,0,0,0,0,2|2,0,0]=4 99 B14R1.818 C[C@H](CC(=O)O)NCc1ccccn1 AIFCHEM-94599622454 [0,0,0,0,0,2|2,0,0]=4 100 B14R1.6449 CC(CNCc1cccnc1)C(=O)O AIFCHEM-5964285898 [0,0,0,0,0,2|2,0,0]=4 101 B14R1.6449 C[C@@H](CNCc1cccnc1)C(=O)O AIFCHEM-5756443649 [0,0,0,0,0,2|2,0,0]=4 102 B14R1.6449 C[C@H](CNCc1cccnc1)C(=O)O AIFCHEM-5799746498 [0,0,0,0,0,2|2,0,0]=4