0 B21R2.252202 CC(CCCc1ccccc1)N2CCCCC2C(=O)O AIFCHEM-94570331936 [0,0,0,0,0,0|3,0,1]=4 1 B21R2.252202 CC(CCCc1ccccc1)N2CCCC[C@@H]2C(=O)O AIFCHEM-94596802439 [0,0,0,0,0,0|3,0,1]=4 2 B21R2.252202 CC(CCCc1ccccc1)N2CCCC[C@H]2C(=O)O AIFCHEM-94556195214 [0,0,0,0,0,0|3,0,1]=4 3 B21R2.252202 NC(=O)C1CCCCN1C(=O)CCSc2ccccc2 AIFCHEM-5716175061 [0,0,0,0,0,0|4,0,0]=4 4 B22R2.519238 Cc1ccc(cc1)CCCC(=O)N2CCCCC2C(=O)N AIFCHEM-94559985010 [0,1,0,0,0,0|3,0,0]=4 5 B22R2.519238 NC(=O)C1CCCCN1C(=O)CCCc2ccc(cc2)Cl AIFCHEM-94559985054 [0,1,0,0,0,0|3,0,0]=4 6 B22R2.519238 NC(=O)C1CCCCN1C(=O)CCCc2ccc(cc2)I AIFCHEM-5716395044 [0,1,0,0,0,0|3,0,0]=4 7 B22R2.534193 COC(=O)C1CCCCN1C(=O)CCCc2ccccc2 AIFCHEM-94569148130 [0,1,0,0,0,0|2,0,0]=3 8 B22R2.534193 COC(=O)C1CCCCN1C(=O)CCCc2ccncc2 AIFCHEM-6171607530 [0,1,0,0,0,0|3,0,0]=4 9 B22R2.534193 COC(=O)C1CCCCN1C(=O)CCSc2ccccc2 AIFCHEM-94569151535 [0,1,0,0,0,0|3,0,0]=4 10 B22R2.534193 COC(=O)[C@@H]1CCCCN1C(=O)CCCc2ccccc2 AIFCHEM-6118016321 [0,1,0,0,0,0|2,0,0]=3 11 B22R2.534193 COC(=O)[C@@H]1CCCCN1C(=O)CCCc2ccncc2 AIFCHEM-6177308464 [0,1,0,0,0,0|3,0,0]=4 12 B22R2.534193 COC(=O)[C@@H]1CCCCN1C(=O)CCSc2ccccc2 AIFCHEM-6159417761 [0,1,0,0,0,0|3,0,0]=4 13 B22R2.534193 COC(=O)[C@H]1CCCCN1C(=O)CCCc2ccccc2 AIFCHEM-6213294993 [0,1,0,0,0,0|2,0,0]=3 14 B22R2.534193 COC(=O)[C@H]1CCCCN1C(=O)CCCc2ccncc2 AIFCHEM-6196557558 [0,1,0,0,0,0|3,0,0]=4 15 B22R2.534193 COC(=O)[C@H]1CCCCN1C(=O)CCSc2ccccc2 AIFCHEM-6262703925 [0,1,0,0,0,0|3,0,0]=4 16 B22R3.35950 CC(=O)N1CCCCC1C(=O)N2CCc3c2ccnc3 AIFCHEM-94551717453 [0,0,0,1,0,0|3,0,0]=4 17 B20R2.10746 CC(=O)N1CCCCC1C(=O)NCc2ccncc2 AIFCHEM-94574676691 [0,0,0,0,1,0|3,0,0]=4 18 B20R2.10746 NC(=O)C1CCCCN1C(=O)CCc2ccncc2 AIFCHEM-94559986311 [0,0,0,0,1,0|3,0,0]=4 19 B20R2.10746 NC(=O)C1CCCCN1C(=O)COc2ccccc2 AIFCHEM-94559980058 [0,0,0,0,1,0|3,0,0]=4 20 B20R2.173482 CC(=O)N1CCCCC1C(=O)NCCn2cccc2 AIFCHEM-5863388512 [0,0,0,0,1,0|3,0,0]=4 21 B22R2.357836 CC(=O)N1CCCCC1C(=O)NCC#Cc2ccccc2 AIFCHEM-5951774646 [0,0,0,0,0,1|2,0,1]=4 22 B19R1.25715 O=C(O)CCCCCCNCCCc1ccccc1 AIFCHEM-5751559213 [1,0,1,0,0,0|2,0,0]=4 23 B21R1.72330 COC(=O)CCCCCNC(=O)CCCc1ccccc1 AIFCHEM-5646615081 [0,1,1,0,0,0|2,0,0]=4 24 B21R1.942695 CC[C@@H](C(=O)OC)N(CC)C(=O)CCCc1ccccc1 AIFCHEM-97976095968 [0,1,1,0,0,0|2,0,0]=4 25 B21R1.942695 CC[C@H](C(=O)OC)N(CC)C(=O)CCCc1ccccc1 AIFCHEM-97975551705 [0,1,1,0,0,0|2,0,0]=4 26 B21R2.21055 COC(=O)[C@@H]1CCCC[C@@H]1NCCCc2ccccc2 AIFCHEM-94522128886 [1,1,0,0,0,0|2,0,0]=4 27 B21R2.19470 CC(=O)N1CCCCC1C(=O)NCc2ccc(cc2)C AIFCHEM-94542351986 [0,1,0,0,1,0|2,0,0]=4 28 B21R2.19470 CC(=O)N1CCCCC1C(=O)NCc2ccc(cc2)I AIFCHEM-6131326530 [0,1,0,0,1,0|2,0,0]=4 29 B21R2.19470 NC(=O)C1CCCCN1C(=O)CCc2ccc(cc2)Br AIFCHEM-5716142000 [0,1,0,0,1,0|2,0,0]=4 30 B21R2.19470 NC(=O)C1CCCCN1C(=O)CCc2ccc(cc2)Cl AIFCHEM-5689996694 [0,1,0,0,1,0|2,0,0]=4 31 B21R2.19470 NC(=O)C1CCCCN1C(=O)CCc2ccc(cc2)F AIFCHEM-5716463421 [0,1,0,0,1,0|2,0,0]=4 32 B21R2.21089 CNC(=O)C1CCCCN1C(=O)CCc2ccccc2 AIFCHEM-6099767791 [0,1,0,0,1,0|2,0,0]=4 33 B21R2.21089 COC(=O)C1CCCCC1C(=O)NCc2ccncc2 AIFCHEM-94574679403 [0,1,0,0,1,0|1,0,0]=3 34 B21R2.21089 COC(=O)C1COCCN1C(=O)CCc2ccccc2 AIFCHEM-5642650889 [0,1,0,0,1,0|2,0,0]=4 35 B21R2.21089 COC(=O)[C@@H]1CCCC[C@H]1C(=O)NCc2ccncc2 AIFCHEM-5854737397 [0,1,0,0,1,0|1,0,0]=3 36 B21R2.21089 COC(=O)[C@@H]1COCCN1C(=O)CCc2ccccc2 AIFCHEM-94531471707 [0,1,0,0,1,0|2,0,0]=4 37 B21R2.21089 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCc2ccncc2 AIFCHEM-5828421223 [0,1,0,0,1,0|1,0,0]=3 38 B21R2.21089 COC(=O)[C@H]1COCCN1C(=O)CCc2ccccc2 AIFCHEM-6026145046 [0,1,0,0,1,0|2,0,0]=4 39 B21R2.107208 CC(=O)N1CCCCC1C(=O)NCc2ccccc2Br AIFCHEM-94588415191 [0,1,0,0,1,0|2,0,0]=4 40 B21R2.107208 CC(=O)N1CCCCC1C(=O)NCc2ccccc2O AIFCHEM-94592071579 [0,1,0,0,1,0|2,0,0]=4 41 B21R2.107208 NC(=O)C1CCCCN1C(=O)CCc2ccccc2F AIFCHEM-94559981652 [0,1,0,0,1,0|2,0,0]=4 42 B21R2.107208 NC(=O)C1CCCCN1C(=O)CCc2ccccc2I AIFCHEM-94559988441 [0,1,0,0,1,0|2,0,0]=4 43 B21R2.222491 NC(=O)C1CCCCN1C(=O)CCc2cccc(c2)Cl AIFCHEM-94559982918 [0,1,0,0,1,0|2,0,0]=4 44 B23R2.714879 CC(=O)N1CCCCC1C(=O)NCCOc2ccc(cc2)F AIFCHEM-94542004688 [0,1,0,0,0,1|2,0,0]=4 45 B23R2.763305 COC(=O)C1CCCCC1C(=O)NCC#Cc2ccccc2 AIFCHEM-5943797820 [0,1,0,0,0,1|0,0,1]=3 46 B23R2.763305 COC(=O)C1CCCCC1C(=O)NCCCc2ccncc2 AIFCHEM-5787640859 [0,1,0,0,0,1|1,0,0]=3 47 B23R2.763305 COC(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#Cc2ccccc2 AIFCHEM-5951708750 [0,1,0,0,0,1|0,0,1]=3 48 B23R2.763305 COC(=O)[C@@H]1CCCC[C@H]1C(=O)NCCCc2cccnc2 AIFCHEM-5795906155 [0,1,0,0,0,1|1,0,0]=3 49 B23R2.763305 COC(=O)[C@@H]1CCCC[C@H]1C(=O)NCCCc2ccncc2 AIFCHEM-94567030828 [0,1,0,0,0,1|1,0,0]=3 50 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCC#Cc2ccccc2 AIFCHEM-5985486156 [0,1,0,0,0,1|0,0,1]=3 51 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCCc2cccnc2 AIFCHEM-5795902027 [0,1,0,0,0,1|1,0,0]=3 52 B23R2.763305 COC(=O)[C@H]1CCCC[C@H]1C(=O)NCCCc2ccncc2 AIFCHEM-5811777093 [0,1,0,0,0,1|1,0,0]=3 53 B23R2.763882 COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)COCc2ccccc2 AIFCHEM-94522140371 [0,1,0,0,0,1|2,0,0]=4 54 B23R2.27946 COC(=O)C1CCCCN1C(=O)C(O)CCc2ccccc2 AIFCHEM-6097782953 [0,2,0,0,0,0|2,0,0]=4 55 B23R2.27946 COC(=O)C1CCCCN1C(=O)[C@@H](O)CCc2ccccc2 AIFCHEM-94569145660 [0,2,0,0,0,0|2,0,0]=4 56 B23R2.27946 COC(=O)C1CCCCN1C(=O)[C@H](O)CCc2ccccc2 AIFCHEM-94569149910 [0,2,0,0,0,0|2,0,0]=4 57 B23R2.27946 COC(=O)[C@@H]1CCCCN1C(=O)C(O)CCc2ccccc2 AIFCHEM-6118038238 [0,2,0,0,0,0|2,0,0]=4 58 B23R2.27946 COC(=O)[C@H]1CCCCN1C(=O)C(O)CCc2ccccc2 AIFCHEM-6270381428 [0,2,0,0,0,0|2,0,0]=4 59 B23R2.27946 COC(=O)[C@H]1CCCCN1C(=O)[C@@H](O)CCc2ccccc2 AIFCHEM-6255642189 [0,2,0,0,0,0|2,0,0]=4 60 B23R2.737259 COC(=O)C1CCCCN1C(=O)CCCc2ccc(cc2)Br AIFCHEM-94569150420 [0,2,0,0,0,0|2,0,0]=4 61 B23R2.737259 COC(=O)C1CCCCN1C(=O)CCCc2ccc(cc2)C AIFCHEM-6171846473 [0,2,0,0,0,0|2,0,0]=4 62 B23R2.737259 COC(=O)C1CCCCN1C(=O)CCCc2ccc(cc2)F AIFCHEM-94569152053 [0,2,0,0,0,0|2,0,0]=4 63 B23R2.737259 COC(=O)C1CCCCN1C(=O)CCCc2ccc(cc2)I AIFCHEM-6168788588 [0,2,0,0,0,0|2,0,0]=4 64 B23R2.737259 COC(=O)[C@@H]1CCCCN1C(=O)CCCc2ccc(cc2)Br AIFCHEM-6118505374 [0,2,0,0,0,0|2,0,0]=4 65 B23R2.737259 COC(=O)[C@@H]1CCCCN1C(=O)CCCc2ccc(cc2)C AIFCHEM-6158791722 [0,2,0,0,0,0|2,0,0]=4 66 B23R2.737259 COC(=O)[C@H]1CCCCN1C(=O)CCCc2ccc(cc2)Br AIFCHEM-6256058113 [0,2,0,0,0,0|2,0,0]=4 67 B23R2.737259 COC(=O)[C@H]1CCCCN1C(=O)CCCc2ccc(cc2)C AIFCHEM-6237722233 [0,2,0,0,0,0|2,0,0]=4 68 B23R2.737259 COC(=O)[C@H]1CCCCN1C(=O)CCCc2ccc(cc2)F AIFCHEM-6263111314 [0,2,0,0,0,0|2,0,0]=4 69 B23R2.737259 COC(=O)[C@H]1CCCCN1C(=O)CCCc2ccc(cc2)I AIFCHEM-6270618478 [0,2,0,0,0,0|2,0,0]=4 70 B23R2.617746 CCOC(=O)C1CCCCN1C(=O)CCCc2ccccc2 AIFCHEM-6068665144 [0,2,0,0,0,0|2,0,0]=4 71 B23R2.617746 CCOC(=O)[C@@H]1CCCCN1C(=O)CCCc2ccccc2 AIFCHEM-94585508637 [0,2,0,0,0,0|2,0,0]=4 72 B23R2.617746 CCOC(=O)[C@H]1CCCCN1C(=O)CCCc2ccccc2 AIFCHEM-94532073838 [0,2,0,0,0,0|2,0,0]=4 73 B21R2.514150 CCN(C(=O)CCCc1ccccc1)[C@@H]2CCOC2=O AIFCHEM-97976013638 [0,0,1,1,0,0|2,0,0]=4 74 B21R2.514150 CCN(C(=O)CCCc1ccccc1)[C@H]2CCOC2=O AIFCHEM-97976204764 [0,0,1,1,0,0|2,0,0]=4 75 B21R3.7942360 NC(=O)[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)CCc3ccccc3 AIFCHEM-5628356648 [0,0,0,1,1,0|2,0,0]=4 76 B21R3.24313 CC(=O)N1CCCC1C(=O)N2CCc3c2cccc3 AIFCHEM-5815905176 [0,0,0,1,1,0|2,0,0]=4 77 B21R3.24313 CC(=O)N1CCC[C@H]1C(=O)N2CCc3c2cccc3 AIFCHEM-5882948633 [0,0,0,1,1,0|2,0,0]=4 78 B23R3.50477 CC(=O)N1CCCCC1C(=O)NC2CCc3c2cccc3 AIFCHEM-94557422083 [0,0,0,1,0,1|2,0,0]=4 79 B23R3.50477 CC(=O)N1CCCCC1C(=O)N[C@@H]2CCc3c2cccc3 AIFCHEM-5991621981 [0,0,0,1,0,1|2,0,0]=4 80 B23R3.50477 CC(=O)N1CCCCC1C(=O)N[C@H]2CCc3c2cccc3 AIFCHEM-5607027617 [0,0,0,1,0,1|2,0,0]=4 81 B23R3.930124 CC(=O)N1CCCCC1C(=O)N2CCc3ccccc3C2 AIFCHEM-5695882804 [0,1,0,1,0,0|2,0,0]=4 82 B23R3.94741238 CC(=O)N1CCCCC1C(=O)N2CC(c3c2cccc3)C AIFCHEM-94519235373 [0,1,0,1,0,0|2,0,0]=4 83 B23R3.16122873 CC(=O)N1CCCCC1C(=O)N2CCc3c2c(ccc3)F AIFCHEM-94555701933 [0,1,0,1,0,0|2,0,0]=4 84 B23R3.70577 COC(=O)C1CCCCC1C(=O)N2CCc3c2cccn3 AIFCHEM-6163902190 [0,1,0,1,0,0|1,0,0]=3 85 B23R3.70577 COC(=O)[C@@H]1CCCC[C@H]1C(=O)N2CCc3c2cccn3 AIFCHEM-6165449169 [0,1,0,1,0,0|1,0,0]=3 86 B23R3.70577 COC(=O)[C@H]1CCCC[C@H]1C(=O)N2CCc3c2cccn3 AIFCHEM-6180368528 [0,1,0,1,0,0|1,0,0]=3 87 B19R1.11978 CCCN[C@@H](CC(=O)O)C(=O)OCc1ccccc1 AIFCHEM-94569022024 [0,0,1,0,1,0|2,0,0]=4 88 B19R1.11978 CCCN[C@H](CC(=O)O)C(=O)OCc1ccccc1 AIFCHEM-94569022596 [0,0,1,0,1,0|2,0,0]=4 89 B19R1.31485 CCCN(C(=O)C)C(C)C(=O)NCc1ccccc1 AIFCHEM-94685394332 [0,0,1,0,1,0|2,0,0]=4 90 B19R2.8870 O=C(O)[C@@H]1CCC[C@H]1NCCCc2ccccc2 AIFCHEM-6247899469 [1,0,0,0,1,0|2,0,0]=4 91 B19R2.8870 O=C(O)[C@H]1CCC[C@@H]1NCCCc2ccccc2 AIFCHEM-5735532431 [1,0,0,0,1,0|2,0,0]=4 92 B19R2.8825 CC(=O)N1CCCCC1C(=O)Nc2ccccc2 AIFCHEM-94552043854 [0,0,0,0,2,0|2,0,0]=4 93 B23R2.474955 CC(=O)N1CCCCC1C(=O)NCCCCc2ccccc2 AIFCHEM-94549953873 [0,0,0,0,0,2|2,0,0]=4 94 B23R2.474955 CC(=O)N1CCCCC1C(=O)NCCCOc2ccccc2 AIFCHEM-6167429073 [0,0,0,0,0,2|2,0,0]=4