0 B18R3.5893 O=C1NCCc2c1cc([nH]2)c3ccncc3 AIFCHEM-94530055481 [0,0,0,0,0,0|0,0,0]=0 1 B18R3.5893 O=C1NCCc2c1sc(n2)c3cccnc3 AIFCHEM-94520906834 [0,0,0,0,0,0|3,0,1]=4 2 B17R3.8708 c1cc(ccn1)c2cc3c(s2)CCCC3 AIFCHEM-6291202299 [1,0,0,0,0,0|2,0,1]=4 3 B17R3.8708 c1cc(ccn1)c2cc3c(s2)CCNC3 AIFCHEM-94530058313 [1,0,0,0,0,0|1,0,1]=3 4 B19R3.3938 Cc1cc(ccn1)c2cc3c([nH]2)CCNC3=O AIFCHEM-94601152935 [0,1,0,0,0,0|0,0,0]=1 5 B19R3.3938 Nc1cccc(c1)c2cc3c([nH]2)CCNC3=O AIFCHEM-94575303264 [0,1,0,0,0,0|1,0,0]=2 6 B19R3.5490 Nc1ccncc1c2cc3c(s2)CCNC3=O AIFCHEM-6308075320 [0,1,0,0,0,0|3,0,0]=4 7 B19R3.5490 Nc1ncccc1c2cc3c([nH]2)CCNC3=O AIFCHEM-6432725931 [0,1,0,0,0,0|2,0,0]=3 8 B17R2.172 CCOC(=O)c1cc([nH]n1)c2ccccc2 AIFCHEM-94592452203 [0,0,1,0,0,0|3,0,0]=4 9 B17R2.172 CCOC(=O)c1cc([nH]n1)c2ccncc2 AIFCHEM-6389663683 [0,0,1,0,0,0|2,0,0]=3 10 B17R2.172 CCOC(=O)c1cc(cs1)c2ccncc2 AIFCHEM-6446206406 [0,0,1,0,0,0|3,0,0]=4 11 B17R2.172 CCOC(=O)c1cc(no1)c2ccncc2 AIFCHEM-6381250486 [0,0,1,0,0,0|2,0,1]=4 12 B17R2.575 COC(=O)c1cc(cn1C)c2ccncc2 AIFCHEM-6426443248 [0,0,1,0,0,0|3,0,0]=4 13 B17R2.575 COC(=O)c1cc(nn1C)c2ccncc2 AIFCHEM-94530056744 [0,0,1,0,0,0|2,0,1]=4 14 B17R3.4464 O=C1NCCc2c1cc([nH]2)c3cn[nH]c3 AIFCHEM-94525309095 [0,0,0,0,1,0|1,0,0]=2 15 B17R3.4464 O=C1NCCc2c1sc(n2)c3cn[nH]c3 AIFCHEM-94525305123 [0,0,0,0,1,0|2,0,1]=4 16 B19R3.8275 O=C1CCNc2c1ccc(c2)c3ccncc3 AIFCHEM-94530052331 [0,0,0,0,0,1|3,0,0]=4 17 B19R3.8275 O=C1CCSc2c1ccc(c2)c3ccncc3 AIFCHEM-94530054852 [0,0,0,0,0,1|3,0,0]=4 18 B19R3.8275 O=C1NCCc2c1ccc(c2)c3ccccn3 AIFCHEM-94593839546 [0,0,0,0,0,1|3,0,0]=4 19 B19R3.8275 O=C1NCCc2c1ccc(c2)c3ccncc3 AIFCHEM-6375239469 [0,0,0,0,0,1|1,0,0]=2 20 B19R3.8275 O=c1[nH]ccc2c1ccc(c2)c3ccncc3 AIFCHEM-6299348023 [0,0,0,0,0,1|1,0,2]=4 21 B19R3.152686 O=C1CCCc2c1cc(cn2)c3ccncc3 AIFCHEM-94530066353 [0,0,0,0,0,1|1,0,1]=3 22 B19R3.152686 O=C1CCNc2c1cc(cc2)c3ccncc3 AIFCHEM-6126887305 [0,0,0,0,0,1|3,0,0]=4 23 B19R3.152686 O=C1CCSc2c1cc(cc2)c3ccncc3 AIFCHEM-6308883709 [0,0,0,0,0,1|3,0,0]=4 24 B19R3.152686 O=C1NCCc2c1cc(cc2)c3cccnc3 AIFCHEM-94520920870 [0,0,0,0,0,1|3,0,0]=4 25 B19R3.152686 O=C1NCCc2c1cc(cn2)c3ccncc3 AIFCHEM-6366710519 [0,0,0,0,0,1|0,0,1]=2 26 B16R2.141 COC(=O)c1cc([nH]n1)c2ccncc2 AIFCHEM-94530055804 [1,0,1,0,0,0|2,0,0]=4 27 B18R2.341 CCCNC(=O)c1cc(c[nH]1)c2ccncc2 AIFCHEM-2359764889 [0,1,1,0,0,0|2,0,0]=4 28 B18R2.341 CCCNC(=O)c1cc(cs1)c2ccncc2 AIFCHEM-47355905044 [0,1,1,0,0,0|2,0,0]=4 29 B18R2.341 CCCNC(=O)c1cc(n[nH]1)c2ccncc2 AIFCHEM-94922887560 [0,1,1,0,0,0|1,0,1]=4 30 B18R2.341 CCCNC(=O)c1cc(no1)c2ccncc2 AIFCHEM-36115229448 [0,1,1,0,0,0|1,0,1]=4 31 B18R2.341 CCCNC(=O)c1ccc(o1)c2ccncc2 AIFCHEM-47279806790 [0,1,1,0,0,0|2,0,0]=4 32 B18R2.341 CCCNC(=O)c1ccc(s1)c2ccncc2 AIFCHEM-91952807018 [0,1,1,0,0,0|2,0,0]=4 33 B18R2.341 CCCNC(=O)c1coc(c1)c2ccccc2 AIFCHEM-47329755877 [0,1,1,0,0,0|2,0,0]=4 34 B18R2.341 CCCNC(=O)c1coc(c1)c2ccncc2 AIFCHEM-47400944998 [0,1,1,0,0,0|1,0,0]=3 35 B18R2.341 CCCNC(=O)c1coc(n1)c2ccncc2 AIFCHEM-36770887228 [0,1,1,0,0,0|2,0,0]=4 36 B18R2.341 CCCNC(=O)c1csc(c1)c2ccccc2 AIFCHEM-47284087097 [0,1,1,0,0,0|2,0,0]=4 37 B18R2.341 CCCNC(=O)c1csc(c1)c2ccncc2 AIFCHEM-47105053359 [0,1,1,0,0,0|1,0,0]=3 38 B18R2.341 O=C(NCCF)c1cc(cs1)c2ccncc2 AIFCHEM-53534232907 [0,1,1,0,0,0|2,0,0]=4 39 B18R2.341 O=C(NCCF)c1cc(n[nH]1)c2ccncc2 AIFCHEM-94922884706 [0,1,1,0,0,0|1,0,1]=4 40 B18R2.341 O=C(NCCF)c1ccc(s1)c2ccncc2 AIFCHEM-77387225552 [0,1,1,0,0,0|2,0,0]=4 41 B18R2.341 O=C(NCCF)c1coc(c1)c2ccccc2 AIFCHEM-36600717616 [0,1,1,0,0,0|2,0,0]=4 42 B18R2.341 O=C(NCCF)c1coc(c1)c2ccncc2 AIFCHEM-36389647606 [0,1,1,0,0,0|1,0,0]=3 43 B18R2.341 O=C(NCCF)c1coc(n1)c2ccncc2 AIFCHEM-36414332658 [0,1,1,0,0,0|2,0,0]=4 44 B18R2.341 O=C(NCCF)c1csc(c1)c2ccccc2 AIFCHEM-59785136384 [0,1,1,0,0,0|2,0,0]=4 45 B18R2.341 O=C(NCCF)c1csc(c1)c2ccncc2 AIFCHEM-54187960458 [0,1,1,0,0,0|1,0,0]=3 46 B18R2.362 CCN(C)C(=O)c1cc(c[nH]1)c2ccncc2 AIFCHEM-2210032659 [0,1,1,0,0,0|2,0,0]=4 47 B18R2.362 CCN(C)C(=O)c1cc(cs1)c2ccncc2 AIFCHEM-47355914865 [0,1,1,0,0,0|2,0,0]=4 48 B18R2.362 CCN(C)C(=O)c1cc(n[nH]1)c2ccncc2 AIFCHEM-96892786348 [0,1,1,0,0,0|1,0,1]=4 49 B18R2.362 CCN(C)C(=O)c1cc(no1)c2ccncc2 AIFCHEM-36770892014 [0,1,1,0,0,0|1,0,1]=4 50 B18R2.362 CCN(C)C(=O)c1ccc(o1)c2ccncc2 AIFCHEM-47336342752 [0,1,1,0,0,0|2,0,0]=4 51 B18R2.362 CCN(C)C(=O)c1ccc(s1)c2ccncc2 AIFCHEM-47355921194 [0,1,1,0,0,0|2,0,0]=4 52 B18R2.362 CCN(C)C(=O)c1coc(c1)c2ccccc2 AIFCHEM-47329751811 [0,1,1,0,0,0|2,0,0]=4 53 B18R2.362 CCN(C)C(=O)c1coc(c1)c2ccncc2 AIFCHEM-47279852993 [0,1,1,0,0,0|1,0,0]=3 54 B18R2.362 CCN(C)C(=O)c1coc(n1)c2ccncc2 AIFCHEM-36414328211 [0,1,1,0,0,0|2,0,0]=4 55 B18R2.362 CCN(C)C(=O)c1csc(c1)c2ccccc2 AIFCHEM-47094693095 [0,1,1,0,0,0|2,0,0]=4 56 B18R2.362 CCN(C)C(=O)c1csc(c1)c2ccncc2 AIFCHEM-47336358226 [0,1,1,0,0,0|1,0,0]=3 57 B18R2.3766 CC(C)NC(=O)c1cc(c[nH]1)c2ccncc2 AIFCHEM-94628204659 [0,1,1,0,0,0|2,0,0]=4 58 B18R2.3766 CC(C)NC(=O)c1cc(co1)c2ccncc2 AIFCHEM-94628185912 [0,1,1,0,0,0|2,0,0]=4 59 B18R2.3766 CC(C)NC(=O)c1cc(cs1)c2ccncc2 AIFCHEM-96892793703 [0,1,1,0,0,0|2,0,0]=4 60 B18R2.3766 CC(C)NC(=O)c1cc(n[nH]1)c2ccncc2 AIFCHEM-94922857219 [0,1,1,0,0,0|1,0,1]=4 61 B18R2.3766 CC(C)NC(=O)c1cc(no1)c2ccncc2 AIFCHEM-99307945664 [0,1,1,0,0,0|1,0,1]=4 62 B18R2.3766 CC(C)NC(=O)c1cc(on1)c2ccncc2 AIFCHEM-94520551926 [0,1,1,0,0,0|2,0,0]=4 63 B18R2.3766 CC(C)NC(=O)c1ccc(o1)c2ccncc2 AIFCHEM-94628194416 [0,1,1,0,0,0|2,0,0]=4 64 B18R2.3766 CC(C)NC(=O)c1coc(c1)c2ccccc2 AIFCHEM-97091856715 [0,1,1,0,0,0|2,0,0]=4 65 B18R2.3766 CC(C)NC(=O)c1coc(c1)c2ccncc2 AIFCHEM-96892775681 [0,1,1,0,0,0|1,0,0]=3 66 B18R2.3766 CC(C)NC(=O)c1coc(n1)c2ccncc2 AIFCHEM-2219544166 [0,1,1,0,0,0|2,0,0]=4 67 B18R2.3766 CC(C)NC(=O)c1csc(c1)c2ccccc2 AIFCHEM-96053859952 [0,1,1,0,0,0|2,0,0]=4 68 B18R2.3766 CC(C)NC(=O)c1csc(c1)c2ccncc2 AIFCHEM-96892800854 [0,1,1,0,0,0|1,0,0]=3 69 B18R2.8097 CCOC(=O)c1cc([nH]n1)c2ccncc2F AIFCHEM-94592450943 [0,1,1,0,0,0|2,0,0]=4 70 B18R2.8124 CCOC(=O)c1cc(n(n1)C)c2ccncc2 AIFCHEM-6320224120 [0,1,1,0,0,0|2,0,0]=4 71 B18R2.7034 O=C(O)CCCc1ccc(s1)c2ccncc2 AIFCHEM-94530065687 [0,1,1,0,0,0|2,0,0]=4 72 B20R3.88396 Cc1ccc(cc1)c2ccc3c(c2)CCNC3=O AIFCHEM-6341301904 [0,1,0,0,0,1|2,0,0]=4 73 B20R3.88396 Nc1ccc(cc1)c2ccc3c(c2)CCNC3=O AIFCHEM-94608719041 [0,1,0,0,0,1|2,0,0]=4 74 B20R3.92245 Cc1nccc(n1)c2ccc3c(c2)CCNC3=O AIFCHEM-94593839698 [0,1,0,0,0,1|2,0,0]=4 75 B20R3.92245 O=C1NCCc2c1ccc(c2)c3cccc(c3)F AIFCHEM-6382498167 [0,1,0,0,0,1|2,0,0]=4 76 B20R3.92245 O=C1NCCc2c1ccc(c2)c3cccc(c3)O AIFCHEM-94595708251 [0,1,0,0,0,1|2,0,0]=4 77 B20R3.133634 O=C1CCCc2c1ccc(c2)c3ccncc3F AIFCHEM-6296942922 [0,1,0,0,0,1|2,0,0]=4 78 B20R3.251408 Cc1cc2c(cc1c3ccncc3)CCCC2=O AIFCHEM-94530054131 [0,1,0,0,0,1|2,0,0]=4 79 B20R3.87739 Cc1ccc(cc1)c2ccc3c(c2)C(=O)NCC3 AIFCHEM-6474080802 [0,1,0,0,0,1|2,0,0]=4 80 B20R3.87739 Cc1ccc(cc1)c2cnc3c(c2)C(=O)NCC3 AIFCHEM-6329189594 [0,1,0,0,0,1|1,0,1]=4 81 B20R3.91362 Cc1cc(ccn1)c2cnc3c(c2)C(=O)CCC3 AIFCHEM-6449858241 [0,1,0,0,0,1|1,0,1]=4 82 B20R3.91362 Cc1cccc(c1)c2ccc3c(c2)C(=O)NCC3 AIFCHEM-6474060199 [0,1,0,0,0,1|2,0,0]=4 83 B20R3.91362 Nc1cc(ccn1)c2ccc3c(c2)C(=O)CCC3 AIFCHEM-5897544922 [0,1,0,0,0,1|2,0,0]=4 84 B20R3.91362 Nc1cccc(c1)c2ccc3c(c2)C(=O)NCC3 AIFCHEM-94580024067 [0,1,0,0,0,1|2,0,0]=4 85 B20R3.91362 Nc1cccc(c1)c2cnc3c(c2)C(=O)NCC3 AIFCHEM-6288500225 [0,1,0,0,0,1|1,0,1]=4 86 B20R3.132994 Cc1ccccc1c2ccc3c(c2)C(=O)NCC3 AIFCHEM-6399561070 [0,1,0,0,0,1|2,0,0]=4 87 B20R3.132994 O=C1NCCc2c1cc(cn2)c3ccccc3F AIFCHEM-6288474702 [0,1,0,0,0,1|1,0,1]=4 88 B20R3.132994 O=C1NCCc2c1cc(cn2)c3ccncc3F AIFCHEM-6371502811 [0,1,0,0,0,1|0,0,1]=3 89 B20R3.207 NCc1ccc(cn1)c2cc3c([nH]2)CCNC3=O AIFCHEM-94531690499 [0,2,0,0,0,0|2,0,0]=4 90 B20R3.303454 Cc1ccc(c(c1)N)c2cc3c([nH]2)CCNC3=O AIFCHEM-6441015141 [0,2,0,0,0,0|1,0,0]=3 91 B18R2.228 CCNC(=O)c1ccc(cn1)c2ccccc2 AIFCHEM-6323363905 [0,0,1,0,0,1|2,0,0]=4 92 B18R2.228 CCOC(=O)c1ccc(cc1)c2ccncc2 AIFCHEM-6299877010 [0,0,1,0,0,1|2,0,0]=4 93 B18R2.228 CCOC(=O)c1ccc(nc1)c2ccncc2 AIFCHEM-6314349634 [0,0,1,0,0,1|1,0,1]=4 94 B18R2.231 CCNC(=O)c1cccc(c1)c2ccncn2 AIFCHEM-6330742695 [0,0,1,0,0,1|2,0,0]=4 95 B18R2.231 CCNC(=O)c1cncc(c1)c2ccccc2 AIFCHEM-94519657417 [0,0,1,0,0,1|1,0,1]=4 96 B18R2.9323 COC(=O)c1cc(cnc1C)c2ccncc2 AIFCHEM-6366635518 [0,0,1,0,0,1|1,0,1]=4 97 B18R2.96424 COC(=O)c1ncc(cc1C)c2ccncc2 AIFCHEM-6315367662 [0,0,1,0,0,1|2,0,0]=4 98 B18R2.2693 COc1cc(ccc1C(=O)N)c2ccncc2 AIFCHEM-6305906012 [0,0,1,0,0,1|2,0,0]=4 99 B18R3.5872 O=C1NCCc2c1ccc(c2)c3ccn[nH]3 AIFCHEM-94593838751 [0,0,0,0,1,1|2,0,0]=4 100 B18R3.5872 O=C1NCCc2c1ccc(c2)c3cncs3 AIFCHEM-94593846928 [0,0,0,0,1,1|2,0,0]=4 101 B18R3.89733 O=C1NCCc2c1cc(cn2)c3cc[nH]c3 AIFCHEM-6316102211 [0,0,0,0,1,1|0,0,2]=4 102 B18R3.89733 O=C1NCCc2c1cc(cn2)c3cn[nH]c3 AIFCHEM-94525312914 [0,0,0,0,1,1|1,0,1]=4 103 B20R3.248100 O=C1NCCc2c1sc(n2)NCc3ccncc3 AIFCHEM-94531257451 [0,0,0,0,0,2|1,0,1]=4