0 B18R2.163142 COc1cc(cc(c1)c2cc(cc(n2)N)C)C AIFCHEM-6470540084 [0,0,0,0,0,0|4,0,0]=4 1 B18R2.163142 Cc1cc(cc(c1)c2cc(cc(c2)C#N)C)C AIFCHEM-6303871065 [0,0,0,0,0,0|4,0,0]=4 2 B18R2.163142 Cc1cc(cc(c1)c2cc(cc(c2)F)O)C#N AIFCHEM-6342642790 [0,0,0,0,0,0|3,0,1]=4 3 B18R2.163142 Cc1cc(cc(c1)c2cc(cc(c2)O)O)C#N AIFCHEM-6483063747 [0,0,0,0,0,0|3,0,1]=4 4 B18R2.163142 Cc1cc(cc(n1)N)c2cc(cc(c2)C#N)F AIFCHEM-5695598903 [0,0,0,0,0,0|3,0,1]=4 5 B18R2.163142 Cc1cc(cc(n1)c2cc(cc(c2)C#N)N)N AIFCHEM-6291365924 [0,0,0,0,0,0|4,0,0]=4 6 B18R2.163142 Cc1cc(nc(c1)c2cc(cc(c2)C#N)F)N AIFCHEM-6470449564 [0,0,0,0,0,0|3,0,0]=3 7 B18R2.163142 Cc1cc(nc(c1)c2cc(cc(c2)C#N)N)C AIFCHEM-6340966343 [0,0,0,0,0,0|4,0,0]=4 8 B18R2.163142 N#Cc1cc(cc(c1)c2cc(cc(c2)F)N)N AIFCHEM-6027190123 [0,0,0,0,0,0|4,0,0]=4 9 B18R2.163142 N#Cc1cc(cc(c1)c2cc(cc(c2)N)N)F AIFCHEM-6329246137 [0,0,0,0,0,0|4,0,0]=4 10 B18R2.163142 N#Cc1cc(cc(c1)c2cc(cc(c2)N)N)N AIFCHEM-6287741830 [0,0,0,0,0,0|4,0,0]=4 11 B17R2.2514 COc1cc(cc(c1)c2cc(=O)[nH]cn2)N AIFCHEM-6435765482 [1,0,0,0,0,0|3,0,0]=4 12 B17R2.2514 COc1cc(cc(c1)c2cccc(n2)N)C AIFCHEM-6434601800 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.2514 COc1cc(cc(c1)c2ccnc(n2)N)C AIFCHEM-6183330103 [1,0,0,0,0,0|2,0,1]=4 14 B17R2.2514 Cc1cc(cc(c1)c2cc(=O)[nH]cn2)C#N AIFCHEM-6461910846 [1,0,0,0,0,0|0,0,0]=1 15 B17R2.2514 Cc1cc(cc(c1)c2cc(=O)[nH]cn2)CO AIFCHEM-6433944424 [1,0,0,0,0,0|1,0,1]=3 16 B17R2.2514 Cc1cc(cc(c1)c2cc(ccn2)N)C#N AIFCHEM-6417762298 [1,0,0,0,0,0|2,0,0]=3 17 B17R2.2514 Cc1cc(cc(c1)c2cc(ncn2)C)C#N AIFCHEM-6475157111 [1,0,0,0,0,0|1,0,1]=3 18 B17R2.2514 Cc1cc(cc(c1)c2cc[nH]c(=O)c2)C=O AIFCHEM-6434655456 [1,0,0,0,0,0|2,0,1]=4 19 B17R2.2514 Cc1cc(cc(c1)c2ccnc(c2)C)C#N AIFCHEM-6358678873 [1,0,0,0,0,0|2,0,1]=4 20 B17R2.2514 Cc1cc(cc(c1)c2cncc(n2)C)C#N AIFCHEM-6323334517 [1,0,0,0,0,0|3,0,0]=4 21 B17R2.2514 Cc1cc(cc(c1)c2nccc(n2)N)C#N AIFCHEM-5630517942 [1,0,0,0,0,0|2,0,0]=3 22 B17R2.2514 Cc1ccnc(c1)c2cc(cc(c2)C#N)N AIFCHEM-6256567090 [1,0,0,0,0,0|3,0,0]=4 23 B17R2.2514 N#Cc1cc(cc(c1)c2cc(ccn2)F)F AIFCHEM-6357243301 [1,0,0,0,0,0|3,0,0]=4 24 B17R2.2514 N#Cc1cc(cc(c1)c2cc[nH]c(=O)c2)F AIFCHEM-6292462776 [1,0,0,0,0,0|2,0,0]=3 25 B17R2.2514 N#Cc1cc(cc(c1)c2cc[nH]c(=O)c2)N AIFCHEM-5695645771 [1,0,0,0,0,0|2,0,0]=3 26 B17R2.2514 N#Cc1cc(cc(c1)c2cccc(c2)N)N AIFCHEM-94580019750 [1,0,0,0,0,0|3,0,0]=4 27 B17R2.2514 N#Cc1cc(cc(c1)c2nccc(n2)N)F AIFCHEM-5630138030 [1,0,0,0,0,0|3,0,0]=4 28 B17R2.99815 Cc1cc(cc(=O)[nH]1)c2cccc(c2)C#N AIFCHEM-6341929114 [1,0,0,0,0,0|2,0,0]=3 29 B17R2.99815 Cc1cc(cc(c1)c2cccc(c2)C#N)N AIFCHEM-5834240958 [1,0,0,0,0,0|3,0,0]=4 30 B17R2.99815 Cc1cc(cc(n1)N)c2cccc(c2)C#N AIFCHEM-5695656896 [1,0,0,0,0,0|2,0,1]=4 31 B17R2.146154 Cc1cc(cc(c1)c2cc(cc(n2)N)C)C AIFCHEM-6388620065 [1,0,0,0,0,0|2,0,1]=4 32 B19R2.104075 Cc1cc(cc(c1)c2cc(cc(c2F)N)F)C#N AIFCHEM-6157258135 [0,1,0,0,0,0|3,0,0]=4 33 B19R2.104075 Cc1cc(cc(c1)c2cc(cc(c2N)N)C)C#N AIFCHEM-6445295945 [0,1,0,0,0,0|3,0,0]=4 34 B19R2.273147 COc1cc(cc(c1)c2cc(cc(c2)C#N)C)N AIFCHEM-6104806421 [0,1,0,0,0,0|2,0,1]=4 35 B19R2.273147 COc1cc(cc(n1)c2cc(cc(c2)C#N)C)N AIFCHEM-6351676381 [0,1,0,0,0,0|3,0,0]=4 36 B19R2.273147 COc1cc(nc(c1)c2cc(cc(c2)C#N)F)N AIFCHEM-6381863755 [0,1,0,0,0,0|2,0,1]=4 37 B19R2.273147 Cc1cc(cc(c1)c2cc(cc(c2)C=O)C)C#N AIFCHEM-6460686611 [0,1,0,0,0,0|3,0,0]=4 38 B19R2.273148 COc1cc(cc(c1)c2cc(cc(n2)N)C)C#N AIFCHEM-6470519765 [0,1,0,0,0,0|2,0,0]=3 39 B19R2.273148 COc1cc(cc(c1)c2cc(nc(c2)N)C)C#N AIFCHEM-5763170275 [0,1,0,0,0,0|2,0,1]=4 40 B19R2.273148 COc1cc(cc(c1)c2cc(nc(c2)N)N)C#N AIFCHEM-6473243919 [0,1,0,0,0,0|2,0,1]=4 41 B19R2.273148 COc1cc(cc(c1)c2cc(nc(n2)C)C)C#N AIFCHEM-6337931888 [0,1,0,0,0,0|2,0,1]=4 42 B19R2.273328 Cc1cc(cc(c1)c2cc(c(c(c2)F)F)N)C#N AIFCHEM-5951339867 [0,1,0,0,0,0|3,0,0]=4 43 B17R2.2511 Cc1cc(cc(c1)c2nc(n(n2)C)N)C#N AIFCHEM-5688127223 [0,0,0,0,1,0|3,0,0]=4 44 B17R2.2513 Cc1cc(cc(c1)c2cc(sc2C)C)C#N AIFCHEM-6313754535 [0,0,0,0,1,0|3,0,0]=4 45 B17R2.2513 Cc1cc(cc(c1)c2nc(sc2C)C)C#N AIFCHEM-6316869141 [0,0,0,0,1,0|3,0,0]=4 46 B17R2.2513 Cc1sc(nc1c2cc(cc(c2)C#N)F)N AIFCHEM-6201395278 [0,0,0,0,1,0|3,0,0]=4 47 B16R2.19 Cc1cc(cc(c1)c2ccccc2)C#N AIFCHEM-94590916003 [2,0,0,0,0,0|2,0,0]=4 48 B16R2.19 Cc1cc(cc(c1)c2ccccn2)C#N AIFCHEM-6369851589 [2,0,0,0,0,0|1,0,0]=3 49 B16R2.19 Cc1cc(cc(c1)c2cccnn2)C#N AIFCHEM-6367899207 [2,0,0,0,0,0|2,0,0]=4 50 B16R2.22 CCc1cccc(c1)c2cc(=O)[nH]cn2 AIFCHEM-6444241614 [2,0,0,0,0,0|1,0,1]=4 51 B16R2.22 N#Cc1cc(ccn1)c2cc[nH]c(=O)c2 AIFCHEM-6356458058 [2,0,0,0,0,0|2,0,0]=4 52 B16R2.22 N#Cc1cccc(c1)c2cc(ccn2)N AIFCHEM-6430338877 [2,0,0,0,0,0|2,0,0]=4 53 B16R2.22 O=c1cc(nc[nH]1)c2cccc(c2)CO AIFCHEM-6434085565 [2,0,0,0,0,0|1,0,1]=4 54 B16R2.80704 O=c1cc(nc[nH]1)c2cc(cc(c2)O)O AIFCHEM-6444054838 [2,0,0,0,0,0|2,0,0]=4 55 B18R2.132 Cc1cc(cc(c1F)C#N)c2cccc(c2)N AIFCHEM-94580004345 [1,1,0,0,0,0|2,0,0]=4 56 B18R2.132 Cc1cc(cc(c1N)C#N)c2cc[nH]c(=O)c2 AIFCHEM-5751204518 [1,1,0,0,0,0|1,0,0]=3 57 B18R2.2715 Cc1cc(cc(c1)c2cc(ccc2C)N)C#N AIFCHEM-5764183683 [1,1,0,0,0,0|2,0,0]=4 58 B18R2.2715 Cc1cc(cc(c1)c2cc(ncc2C)N)C#N AIFCHEM-6103302262 [1,1,0,0,0,0|1,0,1]=4 59 B18R2.2715 Cc1cc(cc(c1)c2nc(ccc2C)N)C#N AIFCHEM-6310683294 [1,1,0,0,0,0|1,0,0]=3 60 B18R2.2715 Cc1cc(cc(c1)c2nc(ccc2N)C)C#N AIFCHEM-6300419658 [1,1,0,0,0,0|2,0,0]=4 61 B18R2.2715 Cc1ccc(nc1c2cc(cc(c2)C#N)N)N AIFCHEM-6362125214 [1,1,0,0,0,0|2,0,0]=4 62 B18R2.2720 Cc1cc(cc(c1)c2ccc(c(c2)N)C)C#N AIFCHEM-5870519343 [1,1,0,0,0,0|2,0,0]=4 63 B18R2.2720 Cc1cc(cc(c1)c2ccc(c(n2)C)C)C#N AIFCHEM-6417433074 [1,1,0,0,0,0|2,0,0]=4 64 B18R2.2720 Cc1cc(cc(c1)c2ccc(c(n2)C)N)C#N AIFCHEM-6314297010 [1,1,0,0,0,0|2,0,0]=4 65 B18R2.2720 Cc1cc(cc(c1)c2ccc(c(n2)C)O)C#N AIFCHEM-6310910810 [1,1,0,0,0,0|2,0,0]=4 66 B18R2.2720 Cc1cc(cc(c1)c2ccc(c(n2)N)N)C#N AIFCHEM-6319414780 [1,1,0,0,0,0|1,0,0]=3 67 B18R2.2720 Cc1cc(cc(c1)c2cnc(c(n2)N)N)C#N AIFCHEM-6303295923 [1,1,0,0,0,0|2,0,0]=4 68 B18R2.2720 Cc1cc(cc(c1)c2ncc(c(n2)N)C)C#N AIFCHEM-94595749629 [1,1,0,0,0,0|2,0,0]=4 69 B18R2.2720 Cc1ccc(nc1N)c2cc(cc(c2)C#N)N AIFCHEM-6382301283 [1,1,0,0,0,0|2,0,0]=4 70 B18R2.2720 Cn1ccc(cc1=O)c2cc(cc(c2)C#N)F AIFCHEM-6474695927 [1,1,0,0,0,0|2,0,0]=4 71 B18R2.2720 N#Cc1cc(cc(c1)c2ccc(c(n2)N)N)N AIFCHEM-6326957985 [1,1,0,0,0,0|2,0,0]=4 72 B18R2.2727 Cc1c(cc[nH]c1=O)c2cc(cc(c2)C#N)N AIFCHEM-6318036668 [1,1,0,0,0,0|2,0,0]=4 73 B18R2.2727 Cc1cc(cc(c1)c2cccc(c2C)N)C#N AIFCHEM-6325924444 [1,1,0,0,0,0|2,0,0]=4 74 B18R2.2727 Cc1cc(cc(c1)c2nccc(c2N)N)C#N AIFCHEM-6313013032 [1,1,0,0,0,0|2,0,0]=4 75 B18R2.2728 COc1cc(cc(c1)c2cc(ccn2)F)C#N AIFCHEM-6336649034 [1,1,0,0,0,0|2,0,0]=4 76 B18R2.2728 COc1cc(cc(c1)c2cc(ncn2)C)C#N AIFCHEM-6469749548 [1,1,0,0,0,0|1,0,1]=4 77 B18R2.2728 COc1cc(cc(c1)c2ccnc(n2)N)C#N AIFCHEM-6095725294 [1,1,0,0,0,0|0,0,1]=3 78 B18R2.2728 CSc1cc(cc(c1)c2cc[nH]c(=O)c2)C#N AIFCHEM-6337700513 [1,1,0,0,0,0|1,0,0]=3 79 B18R2.6696 N#Cc1cc(cc(c1N)c2cc[nH]c(=O)c2)F AIFCHEM-6040608006 [1,1,0,0,0,0|2,0,0]=4 80 B18R2.7919 N#Cc1cc(c(c(c1)c2cc[nH]c(=O)c2)O)O AIFCHEM-6390207246 [1,1,0,0,0,0|2,0,0]=4 81 B18R2.172534 COc1nccc(n1)c2cc(cc(c2)C#N)C AIFCHEM-6345550625 [1,1,0,0,0,0|1,0,1]=4 82 B18R2.172534 Cc1cc(cc(c1)c2cc(ccn2)C#N)C#N AIFCHEM-6373551708 [1,1,0,0,0,0|2,0,0]=4 83 B18R2.172534 Cc1cc(cc(c1)c2cc(ccn2)C=O)C#N AIFCHEM-6412613058 [1,1,0,0,0,0|1,0,0]=3 84 B18R2.172534 Cc1cc(cc(c1)c2cccc(c2)C=O)C#N AIFCHEM-6398331374 [1,1,0,0,0,0|2,0,0]=4 85 B18R2.172534 Cc1cc(cc(c1)c2cccc(c2)CN)C#N AIFCHEM-5943346948 [1,1,0,0,0,0|2,0,0]=4 86 B18R2.172534 Cc1cc(cc(c1)c2cccc(n2)CN)C#N AIFCHEM-94558883128 [1,1,0,0,0,0|1,0,0]=3 87 B18R2.172534 N#Cc1cc(cc(c1)c2cc(ccn2)C=O)F AIFCHEM-6479303768 [1,1,0,0,0,0|2,0,0]=4 88 B18R2.172534 N#Cc1cc(cc(c1)c2cccc(n2)CN)N AIFCHEM-94602219513 [1,1,0,0,0,0|2,0,0]=4 89 B18R2.272778 Cc1cc(cc(c1)c2cc(=O)[nH]cn2)C(=O)O AIFCHEM-6414964056 [1,1,0,0,0,0|1,0,1]=4 90 B18R2.172793 Cc1c(cccc1c2cc(=O)[nH]c(=O)[nH]2)C#N AIFCHEM-6399200733 [1,1,0,0,0,0|1,0,1]=4 91 B18R2.172793 Cc1cc(nc(c1)c2cccc(c2N)C#N)N AIFCHEM-6403248015 [1,1,0,0,0,0|2,0,0]=4 92 B18R2.196269 Cc1cc(nc(c1)c2cc(ccc2F)C#N)N AIFCHEM-6483399468 [1,1,0,0,0,0|2,0,0]=4 93 B18R2.2511750 Cc1cc(nc(c1)c2ccc(c(c2)C#N)C)N AIFCHEM-6483388238 [1,1,0,0,0,0|2,0,0]=4 94 B18R2.2511750 N#Cc1cc(ccc1N)c2cc(=O)[nH]c(=O)[nH]2 AIFCHEM-6473255799 [1,1,0,0,0,0|1,0,1]=4 95 B18R2.2511750 N#Cc1cc(ccc1O)c2cc(=O)[nH]c(=O)[nH]2 AIFCHEM-6478560126 [1,1,0,0,0,0|1,0,1]=4 96 B20R2.685315 Cc1cc(cc(=O)[nH]1)c2cc(cc(c2)N(C)C)C#N AIFCHEM-6328777634 [0,2,0,0,0,0|2,0,0]=4 97 B20R2.685315 Cc1cc(nc(c1)c2cc(cc(c2)N(C)C)C#N)N AIFCHEM-6470477160 [0,2,0,0,0,0|2,0,0]=4 98 B16R2.2329 Cc1cc(cc(c1)c2ccsc2C)C#N AIFCHEM-6321236814 [1,0,0,0,1,0|2,0,0]=4 99 B16R2.2331 Cc1cc(cc(c1)c2cc([nH]n2)C)C#N AIFCHEM-6325019032 [1,0,0,0,1,0|1,0,0]=3 100 B16R2.2331 Cc1cc(cc(c1)c2csc(n2)C)C#N AIFCHEM-6348502494 [1,0,0,0,1,0|2,0,0]=4 101 B16R2.2331 Cc1cc(cc(c1)c2ncc([nH]2)C)C#N AIFCHEM-6307942261 [1,0,0,0,1,0|2,0,0]=4 102 B16R2.2331 Cc1cc(n[nH]1)c2cc(cc(c2)C#N)F AIFCHEM-94555071134 [1,0,0,0,1,0|2,0,0]=4 103 B16R2.2418 Cc1nc(c([nH]1)C)c2cccc(c2)C#N AIFCHEM-6322568854 [1,0,0,0,1,0|2,0,0]=4 104 B18R2.2713 Cc1cc(cc(c1)c2c[nH]c(=O)cc2F)C#N AIFCHEM-6370735255 [0,0,0,0,1,1|2,0,0]=4 105 B18R2.2713 Cc1cc(cc(c1)c2ncc(cc2N)F)C#N AIFCHEM-6321120546 [0,0,0,0,1,1|2,0,0]=4 106 B18R2.2713 N#Cc1cc(cc(c1)c2c[nH]c(=O)[nH]c2=O)N AIFCHEM-94595531555 [0,0,0,0,1,1|2,0,0]=4 107 B18R2.2432562 Cc1cc(cc(=O)[nH]1)c2ccc(c(c2)C)C#N AIFCHEM-6379191144 [0,0,0,0,1,1|2,0,0]=4 108 B18R2.2150454 Cc1cc(cc(=O)[nH]1)c2ccc(cc2C)C#N AIFCHEM-6377567764 [0,0,0,0,1,1|2,0,0]=4