0 B26R3.36343921 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccncn3 AIFCHEM-94598738479 [0,1,0,0,0,0|1,0,0]=2 1 B24R2.100583 Cc1cc(ccc1C=CCO)OCC(=O)NCc2ccccn2 AIFCHEM-37239754735 [0,0,1,0,0,0|1,0,2]=4 2 B24R2.214489 CC(O)C=Cc1ccc(cc1)CCC(=O)NCc2ccccn2 AIFCHEM-85525516804 [0,0,1,0,0,0|2,0,1]=4 3 B24R2.214489 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2ccccc2 AIFCHEM-37433656874 [0,0,1,0,0,0|2,0,1]=4 4 B24R2.214489 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2ccccn2 AIFCHEM-37239760046 [0,0,1,0,0,0|1,0,1]=3 5 B24R2.214489 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2ccncn2 AIFCHEM-38426958984 [0,0,1,0,0,0|2,0,1]=4 6 B24R2.214489 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2cnccn2 AIFCHEM-37681832098 [0,0,1,0,0,0|2,0,1]=4 7 B24R2.214489 CC(O)C=Cc1ccc(nc1)OCC(=O)NCc2ccccn2 AIFCHEM-72637017968 [0,0,1,0,0,0|2,0,1]=4 8 B23R2.3740 O=C(CCc1ccc(cc1)C=CCO)NCc2ccccn2 AIFCHEM-79860977024 [1,0,1,0,0,0|1,0,1]=4 9 B23R2.3740 O=C(COc1ccc(cc1)C=CCO)NCc2ccccc2 AIFCHEM-37433640496 [1,0,1,0,0,0|1,0,1]=4 10 B23R2.3740 O=C(COc1ccc(cc1)C=CCO)NCc2ccccn2 AIFCHEM-37239743668 [1,0,1,0,0,0|0,0,1]=3 11 B23R2.3740 O=C(COc1ccc(cc1)C=CCO)NCc2ccncn2 AIFCHEM-37314718119 [1,0,1,0,0,0|1,0,1]=4 12 B23R2.3740 O=C(COc1ccc(cc1)C=CCO)NCc2cnccn2 AIFCHEM-37663918818 [1,0,1,0,0,0|1,0,1]=4 13 B23R2.3740 O=C(COc1ccc(cn1)C=CCO)NCc2ccccn2 AIFCHEM-37239777001 [1,0,1,0,0,0|1,0,1]=4 14 B23R2.168458 CC=Cc1ccc(cc1C)OCC(=O)NCc2ccccn2 AIFCHEM-37239786765 [1,0,1,0,0,0|1,0,1]=4 15 B25R2.182151 CC(O)C=Cc1ccc(c(c1)F)OCC(=O)NCc2ccccn2 AIFCHEM-72637044295 [0,1,1,0,0,0|1,0,1]=4 16 B25R2.212272 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2cc(ccn2)Br AIFCHEM-37188953695 [0,1,1,0,0,0|1,0,1]=4 17 B25R2.212272 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2cc(ccn2)Cl AIFCHEM-37217620112 [0,1,1,0,0,0|1,0,1]=4 18 B25R2.212272 Cc1cccc(n1)CNC(=O)COc2ccc(cc2)C=CC(C)O AIFCHEM-37282419951 [0,1,1,0,0,0|1,0,1]=4 19 B25R2.212272 Cc1ccnc(c1)CNC(=O)COc2ccc(cc2)C=CC(C)O AIFCHEM-37774160062 [0,1,1,0,0,0|1,0,1]=4 20 B25R2.219130 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2ncccc2Br AIFCHEM-38165492196 [0,1,1,0,0,0|1,0,1]=4 21 B25R2.219130 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2ncccc2Cl AIFCHEM-37292245291 [0,1,1,0,0,0|1,0,1]=4 22 B25R2.219130 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2ncccc2F AIFCHEM-37914132020 [0,1,1,0,0,0|1,0,1]=4 23 B25R2.219130 Cc1cccnc1CNC(=O)COc2ccc(cc2)C=CC(C)O AIFCHEM-37197365967 [0,1,1,0,0,0|1,0,1]=4 24 B25R2.731211 CC(O)C=Cc1ccc(cc1)OCC(=O)NC(C)c2ccccn2 AIFCHEM-38818951301 [0,1,1,0,0,0|1,0,1]=4 25 B25R2.731211 CC(O)C=Cc1ccc(cc1)OCC(=O)N[C@@H](C)c2ccccn2 AIFCHEM-38049274190 [0,1,1,0,0,0|1,0,1]=4 26 B25R2.731211 CC(O)C=Cc1ccc(cc1)OCC(=O)N[C@H](C)c2ccccn2 AIFCHEM-37726545638 [0,1,1,0,0,0|1,0,1]=4 27 B25R2.731216 CC(O)C=Cc1ccc(cc1)OCC(=O)N(C)Cc2ccccn2 AIFCHEM-37910122843 [0,1,1,0,0,0|1,0,1]=4 28 B25R2.1184723 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2ccc(cn2)Br AIFCHEM-37277148454 [0,1,1,0,0,0|1,0,1]=4 29 B25R2.1184723 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2ccc(cn2)Cl AIFCHEM-38015383838 [0,1,1,0,0,0|1,0,1]=4 30 B25R2.1184723 CC(O)C=Cc1ccc(cc1)OCC(=O)NCc2ccc(cn2)F AIFCHEM-37871312305 [0,1,1,0,0,0|1,0,1]=4 31 B25R2.1184723 Cc1ccc(nc1)CNC(=O)COc2ccc(cc2)C=CC(C)O AIFCHEM-37391593423 [0,1,1,0,0,0|1,0,1]=4 32 B25R2.32864988 CC(C)(O)C=Cc1ccc(cc1)OCC(=O)NCc2ccccn2 AIFCHEM-72637035995 [0,1,1,0,0,0|1,0,1]=4 33 B25R3.833369 Cc1ccc(nc1)CNCCOc2ccc3ccc(=O)oc3c2 AIFCHEM-94528715788 [1,1,0,0,0,0|0,0,1]=3 34 B25R3.833369 Cc1cnc(cn1)CNCCOc2ccc3ccc(=O)oc3c2 AIFCHEM-94528715851 [1,1,0,0,0,0|1,0,1]=4 35 B25R3.833369 O=c1ccc2ccc(cc2o1)OCCNCc3ccc(cn3)Br AIFCHEM-94528714851 [1,1,0,0,0,0|0,0,1]=3 36 B25R3.833369 O=c1ccc2ccc(cc2o1)OCCNCc3ccc(cn3)F AIFCHEM-94528714849 [1,1,0,0,0,0|0,0,1]=3 37 B25R3.833369 O=c1ccc2ccc(cc2o1)OCCNCc3ccc(cn3)O AIFCHEM-94528714852 [1,1,0,0,0,0|0,0,1]=3 38 B25R3.833369 O=c1ccc2ccc(cc2o1)OCCNCc3cnc(cn3)Cl AIFCHEM-94528717790 [1,1,0,0,0,0|1,0,1]=4 39 B25R3.2586975 CC(NCCOc1ccc2ccc(=O)oc2c1)c3ccccn3 AIFCHEM-94528712065 [1,1,0,0,0,0|0,0,1]=3 40 B25R3.2586975 CC(NCCOc1ccc2ccc(=O)oc2c1)c3ncccn3 AIFCHEM-94528716012 [1,1,0,0,0,0|1,0,1]=4 41 B25R3.13737765 O=c1ccc2ccc(cc2o1)OCCNCc3cc(ccn3)Br AIFCHEM-94528712749 [1,1,0,0,0,0|0,0,1]=3 42 B25R3.13737765 O=c1ccc2ccc(cc2o1)OCCNCc3cccc(c3)Cl AIFCHEM-94528716368 [1,1,0,0,0,0|1,0,1]=4 43 B25R3.13832637 O=c1ccc2ccc(cc2o1)OCCNCc3ccccc3Br AIFCHEM-94528716806 [1,1,0,0,0,0|1,0,1]=4 44 B25R3.13832637 O=c1ccc2ccc(cc2o1)OCCNCc3ccccc3F AIFCHEM-94528715615 [1,1,0,0,0,0|1,0,1]=4 45 B25R3.13832637 O=c1ccc2ccc(cc2o1)OCCNCc3ccccc3O AIFCHEM-94532462611 [1,1,0,0,0,0|1,0,1]=4 46 B25R3.12421533 CN(Cc1ccccn1)C(=O)CCc2ccc3ccccc3c2 AIFCHEM-6091035916 [1,1,0,0,0,0|2,0,0]=4 47 B25R3.29687485 O=C(CCc1ccc2ccccc2c1)NCc3cc(ccn3)Br AIFCHEM-5717552669 [1,1,0,0,0,0|2,0,0]=4 48 B25R3.219631982 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccno3 AIFCHEM-5914366293 [0,1,0,0,1,0|2,0,0]=4 49 B25R3.219631982 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccoc3 AIFCHEM-6123854729 [0,1,0,0,1,0|1,0,0]=3 50 B25R3.219631982 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3cncs3 AIFCHEM-6063763329 [0,1,0,0,1,0|2,0,0]=4 51 B27R3.367451766 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccc(cc3)I AIFCHEM-6152634313 [0,2,0,0,0,0|1,0,0]=3 52 B27R3.367451766 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccc(cc3)O AIFCHEM-5639785433 [0,2,0,0,0,0|1,0,0]=3 53 B27R3.367451766 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccc(cn3)O AIFCHEM-6078034766 [0,2,0,0,0,0|0,0,0]=2 54 B27R3.171762856 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccc[nH]c3=O AIFCHEM-5720003588 [0,2,0,0,0,0|2,0,0]=4 55 B27R3.171762856 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccccc3Cl AIFCHEM-94555023217 [0,2,0,0,0,0|1,0,0]=3 56 B27R3.171762856 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3ccccc3O AIFCHEM-94592073605 [0,2,0,0,0,0|1,0,0]=3 57 B27R3.171762856 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3nccnc3Cl AIFCHEM-6121359683 [0,2,0,0,0,0|1,0,0]=3 58 B27R3.171762856 Cc1ccncc1CNC(=O)COc2ccc3c(cc(=O)oc3c2)C AIFCHEM-5981640368 [0,2,0,0,0,0|2,0,0]=4 59 B27R3.40163521 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NC(C)c3ccccn3 AIFCHEM-94521945056 [0,2,0,0,0,0|0,0,0]=2 60 B27R3.40163521 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)N[C@@H](C)c3ccccn3 AIFCHEM-94521912492 [0,2,0,0,0,0|0,0,0]=2 61 B27R3.40163521 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)N[C@H](C)c3ccccn3 AIFCHEM-6025003236 [0,2,0,0,0,0|0,0,0]=2 62 B27R3.40163665 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)N(C)Cc3ccccn3 AIFCHEM-6117693268 [0,2,0,0,0,0|0,0,0]=2 63 B27R3.737375733 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3cccc(c3)Br AIFCHEM-94592409001 [0,2,0,0,0,0|1,0,0]=3 64 B27R3.737375733 Cc1cc(=O)oc2c1ccc(c2)OCC(=O)NCc3cccc(c3)I AIFCHEM-94533644294 [0,2,0,0,0,0|1,0,0]=3 65 B27R3.737375733 Cc1cccc(c1)CNC(=O)COc2ccc3c(cc(=O)oc3c2)C AIFCHEM-5758101297 [0,2,0,0,0,0|1,0,0]=3 66 B23R2.27647 C/C=C(\C)/c1cccc(c1)OCC(=O)NCc2ccccn2 AIFCHEM-100116154358 [0,0,1,0,1,0|1,0,1]=4 67 B23R2.27647 COC(=O)c1cccc(c1)OCC(=O)NCc2ccccn2 AIFCHEM-94603837344 [0,0,1,0,1,0|1,0,1]=4 68 B23R2.471656 CC(O)C=Cc1ccc(cc1)CC(=O)NCc2ccccn2 AIFCHEM-85525395458 [0,0,1,0,1,0|1,0,1]=4 69 B23R3.3560299 O=C(Cc1ccc2ccccc2c1)NCc3ccncn3 AIFCHEM-94598738007 [1,0,0,0,1,0|2,0,0]=4 70 B23R3.141332 O=C(NCc1ccccn1)c2ccc3ccc(=O)[nH]c3c2 AIFCHEM-5769997799 [0,0,0,0,2,0|1,0,0]=3 71 B23R3.141332 O=C(NCc1ncccn1)c2ccc3ccc(=O)[nH]c3c2 AIFCHEM-5836664099 [0,0,0,0,2,0|2,0,0]=4 72 B23R3.141341 O=C(Cc1ccccn1)Nc2ccc3ccc(=O)[nH]c3c2 AIFCHEM-5593243890 [0,0,0,0,2,0|2,0,0]=4 73 B25R2.731214 CC(O)C=Cc1ccc(cc1)OCCC(=O)NCc2ccccn2 AIFCHEM-37239769828 [0,0,1,0,0,1|1,0,1]=4 74 B27R3.2976007 O=C(CCc1ccccc1)NCCOc2ccc3ccc(=O)oc3c2 AIFCHEM-94528724640 [0,0,0,0,0,2|2,0,0]=4