0 B11R1.172 CC(=O)NCCc1cc[nH]n1 AIFCHEM-94535591087 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.172 CC(=O)NCCn1cccc1 AIFCHEM-94535595097 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.172 CC(=O)NCCn1cncn1 AIFCHEM-5648901108 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.21 CCNCCc1cc[nH]n1 AIFCHEM-94537414967 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.21 CCNCCc1nccs1 AIFCHEM-94537417287 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.477 C#CC(=O)NCCc1cncs1 AIFCHEM-94525201945 [0,1,0,0,0,0|1,0,2]=4 6 B12R1.477 C#CC(=O)NCCc1nccs1 AIFCHEM-94525195483 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.477 CCC(=O)NCCc1ncc[nH]1 AIFCHEM-94526503472 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.477 CCC(=O)NCCc1nccs1 AIFCHEM-94526503930 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.477 CCC(=O)NCCn1ccnc1 AIFCHEM-94538628178 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.477 CNC(=O)CNCc1cscn1 AIFCHEM-94562543085 [0,1,0,0,0,0|3,0,0]=4 11 B12R1.477 O=C(CO)NCCn1cccn1 AIFCHEM-6070965186 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.66 CC(=O)NCc1ccc[nH]1 AIFCHEM-94605343937 [0,0,0,0,1,0|1,0,1]=3 13 B10R1.66 CC(=O)NCc1cccs1 AIFCHEM-6123944273 [0,0,0,0,1,0|2,0,0]=3 14 B10R1.66 CC(=O)NCc1ncn[nH]1 AIFCHEM-6113521416 [0,0,0,0,1,0|1,0,1]=3 15 B12R1.255 NC(=O)CCNCc1cocn1 AIFCHEM-5952621839 [0,0,0,0,0,1|3,0,0]=4 16 B9R1.12 CCNCc1cocn1 AIFCHEM-94553456429 [2,0,0,0,0,0|1,0,1]=4 17 B11R1.4 O=COCNCc1cscn1 AIFCHEM-94595106388 [1,1,0,0,0,0|2,0,0]=4 18 B11R1.75 CC(=O)NCc1ccc(o1)Br AIFCHEM-94535592842 [0,1,0,0,1,0|2,0,0]=4 19 B11R1.75 CC(=O)NCc1ccc(s1)Br AIFCHEM-6251014657 [0,1,0,0,1,0|2,0,0]=4 20 B11R1.75 CC(=O)NCc1ccc(s1)C AIFCHEM-94561602504 [0,1,0,0,1,0|2,0,0]=4 21 B11R1.75 CC(=O)NCc1ccn(n1)C AIFCHEM-94605354727 [0,1,0,0,1,0|2,0,0]=4 22 B11R1.75 CC(=O)NCc1n[nH]c(n1)C AIFCHEM-94535589899 [0,1,0,0,1,0|1,0,0]=3 23 B11R1.77 CC(=O)NC(C)c1ccsc1 AIFCHEM-5948428859 [0,1,0,0,1,0|2,0,0]=4 24 B13R1.128 CC(C)CNCCc1cn(cn1)C AIFCHEM-94572983364 [0,1,0,0,0,1|1,0,1]=4 25 B13R1.128 Cn1cnc(c1)CNCCC(=O)N AIFCHEM-5913684288 [0,1,0,0,0,1|2,0,0]=4 26 B13R1.342 CC(=O)CCNC(=O)c1c[nH]cn1 AIFCHEM-6234883927 [0,1,0,0,0,1|1,0,1]=4 27 B13R1.593 CC(C)NC(=O)CCc1c[nH]cn1 AIFCHEM-94520543353 [0,1,0,0,0,1|1,0,1]=4 28 B13R1.3485 CC(=O)NCCn1nc(nc1C)C AIFCHEM-94535593415 [0,2,0,0,0,0|1,0,1]=4 29 B13R1.3383 CCN(CCc1cc[nH]n1)C(=O)C AIFCHEM-99350906375 [0,2,0,0,0,0|2,0,0]=4 30 B13R1.3383 CCN(CCc1cn[nH]c1)C(=O)C AIFCHEM-94685591908 [0,2,0,0,0,0|2,0,0]=4 31 B13R1.3383 CCN(CCc1cncs1)C(=O)C AIFCHEM-94685297564 [0,2,0,0,0,0|1,0,1]=4 32 B13R1.3383 CCN(CCc1nccs1)C(=O)C AIFCHEM-98288365390 [0,2,0,0,0,0|2,0,0]=4 33 B13R1.3383 CCN(CCc1ncn[nH]1)C(=O)C AIFCHEM-94686400833 [0,2,0,0,0,0|1,0,1]=4 34 B13R1.3383 CCN(CCn1cncn1)C(=O)C AIFCHEM-99350581980 [0,2,0,0,0,0|1,0,1]=4 35 B13R1.404 C#CCC(=O)NCCc1ncn[nH]1 AIFCHEM-6181121106 [0,2,0,0,0,0|1,0,1]=4 36 B13R1.404 CC#CC(=O)NCCn1cncn1 AIFCHEM-94554174329 [0,2,0,0,0,0|1,0,1]=4 37 B13R1.404 CC(CCO)NCCc1c[nH]cn1 AIFCHEM-5809186464 [0,2,0,0,0,0|0,0,2]=4 38 B13R1.404 COCC(=O)NCCc1ncn[nH]1 AIFCHEM-6151483064 [0,2,0,0,0,0|1,0,1]=4 39 B13R1.404 CSCC(=O)NCCc1cc[nH]n1 AIFCHEM-6226790547 [0,2,0,0,0,0|2,0,0]=4 40 B13R1.404 N#CCC(=O)NCCc1cn[nH]c1 AIFCHEM-94559917885 [0,2,0,0,0,0|2,0,0]=4 41 B13R1.404 N#CCC(=O)NCCc1ncn[nH]1 AIFCHEM-94559920935 [0,2,0,0,0,0|1,0,1]=4 42 B11R1.91 CC(=O)NCc1ccccn1 AIFCHEM-5686879180 [0,0,1,1,0,0|1,0,1]=4 43 B11R1.91 CC(=O)NCc1ccncn1 AIFCHEM-94605339593 [0,0,1,1,0,0|0,0,2]=4 44 B13R2.72 CC(=O)N1CCc2c1cncc2 AIFCHEM-5724062776 [0,0,0,1,0,1|1,0,1]=4 45 B13R2.72 CC(=O)N1CCc2c1nccc2 AIFCHEM-6172570028 [0,0,0,1,0,1|1,0,0]=3 46 B13R2.5569 CC(=O)N1CCCn2c1ccn2 AIFCHEM-94535590385 [0,0,0,1,0,1|2,0,0]=4 47 B13R2.430 CC(=O)N1CCc2sccc2C1 AIFCHEM-94565949291 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.430 CC(=O)N1CCn2ncnc2C1 AIFCHEM-5921821471 [0,1,0,1,0,0|1,0,1]=4 49 B9R1.13 CC(=O)Nc1ncco1 AIFCHEM-6274686839 [0,0,0,0,2,0|2,0,0]=4 50 B9R1.13 CC(=O)Nc1ncns1 AIFCHEM-5960419462 [0,0,0,0,2,0|1,0,1]=4 51 B13R1.343 CC(=O)NCCNCc1ccsc1 AIFCHEM-5964115372 [0,0,0,0,0,2|2,0,0]=4 52 B13R1.343 CC(=O)NCCNCc1nccs1 AIFCHEM-5901866341 [0,0,0,0,0,2|2,0,0]=4 53 B13R1.343 CC(=O)SCCCNc1cscn1 AIFCHEM-94560868943 [0,0,0,0,0,2|2,0,0]=4 54 B13R1.343 O=C(O)NCCNCc1cc[nH]c1 AIFCHEM-94535748410 [0,0,0,0,0,2|2,0,0]=4