0 B16R2.88 CC(=Cc1cccnc1)c2ccccc2 AIFCHEM-94522741858 [0,0,0,0,0,1|2,0,0]=3 1 B16R2.88 CC(=Cc1ccncc1)c2ccccc2 AIFCHEM-94603945660 [0,0,0,0,0,1|2,0,0]=3 2 B16R2.88 CC(=Cc1cncnc1)c2ccccc2 AIFCHEM-94522749164 [0,0,0,0,0,1|3,0,0]=4 3 B16R2.88 O=C(Nc1ccncc1)c2ccccn2 AIFCHEM-94578913130 [0,0,0,0,0,1|2,0,0]=3 4 B16R2.88 O=C(Nc1ccncc1)c2ccnnc2 AIFCHEM-94533901456 [0,0,0,0,0,1|3,0,0]=4 5 B17R2.192 Cc1ccc(cn1)C(=O)Nc2ccncc2 AIFCHEM-94533900177 [0,1,0,0,0,1|2,0,0]=4 6 B17R2.192 Cc1ccc(nc1)C(=O)Nc2ccncc2 AIFCHEM-94527139812 [0,1,0,0,0,1|2,0,0]=4 7 B17R2.192 O=C(Nc1ccccc1)c2ccc(=O)[nH]c2 AIFCHEM-94577034979 [0,1,0,0,0,1|1,0,0]=3 8 B17R2.192 O=C(Nc1ccccc1)c2ccc(nn2)O AIFCHEM-94577034272 [0,1,0,0,0,1|2,0,0]=4 9 B17R2.192 O=C(Nc1ccccc1)c2cnc(nc2)Cl AIFCHEM-94552043968 [0,1,0,0,0,1|2,0,0]=4 10 B17R2.192 O=C(Nc1ccccn1)c2ccc(=O)oc2 AIFCHEM-5944039907 [0,1,0,0,0,1|2,0,0]=4 11 B17R2.192 O=C(Nc1ccccn1)c2ccc(cc2)O AIFCHEM-94586372355 [0,1,0,0,0,1|1,0,0]=3 12 B17R2.192 O=C(Nc1ccncc1)c2ccc(cc2)F AIFCHEM-6158180634 [0,1,0,0,0,1|1,0,0]=3 13 B17R2.192 O=C(Nc1ccncc1)c2ccc(cc2)I AIFCHEM-94533902331 [0,1,0,0,0,1|1,0,0]=3 14 B17R2.192 O=C(Nc1ccncc1)c2ccc(cn2)Br AIFCHEM-6172650298 [0,1,0,0,0,1|2,0,0]=4 15 B17R2.209 CC(=Cc1ccc(nc1)O)c2ccccc2 AIFCHEM-94542526566 [0,1,0,0,0,1|2,0,0]=4 16 B17R2.209 CN(Cc1ccc(cc1)Br)c2ccccc2 AIFCHEM-94545175676 [0,1,0,0,0,1|2,0,0]=4 17 B17R2.209 Cc1ccc(cc1)NC(=O)c2cccnc2 AIFCHEM-94547765509 [0,1,0,0,0,1|1,0,0]=3 18 B17R2.209 Cc1ccc(nn1)NC(=O)c2ccccc2 AIFCHEM-94565577779 [0,1,0,0,0,1|2,0,0]=4 19 B17R2.209 O=C(Nc1ccc(cc1)Br)c2cccnn2 AIFCHEM-94608724413 [0,1,0,0,0,1|2,0,0]=4 20 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccnnc2 AIFCHEM-94608726838 [0,1,0,0,0,1|2,0,0]=4 21 B17R2.209 O=C(Nc1ccc(cc1)O)c2ccccc2 AIFCHEM-94596165878 [0,1,0,0,0,1|0,0,0]=2 22 B17R2.209 O=C(Nc1ccc(cc1)O)c2ncccn2 AIFCHEM-94596163457 [0,1,0,0,0,1|2,0,0]=4 23 B17R2.209 O=C(Nc1ccc(nc1)O)c2ccccc2 AIFCHEM-94565574026 [0,1,0,0,0,1|1,0,0]=3 24 B17R2.209 O=C(Nc1cnc(nc1)Br)c2ccccc2 AIFCHEM-94565582313 [0,1,0,0,0,1|2,0,0]=4 25 B17R2.3417 CC(Nc1ccccc1)c2ccccc2O AIFCHEM-94552032327 [0,1,0,0,0,1|1,0,1]=4 26 B17R2.3417 Cc1cccnc1C(=O)Nc2ccncc2 AIFCHEM-94533896269 [0,1,0,0,0,1|2,0,0]=4 27 B17R2.3417 O=C(Nc1ccccc1)c2ncccc2I AIFCHEM-94577036641 [0,1,0,0,0,1|1,0,0]=3 28 B17R2.3417 O=C(Nc1ccccn1)c2ccc[nH]c2=O AIFCHEM-5952484348 [0,1,0,0,0,1|2,0,0]=4 29 B17R2.3417 O=C(Nc1ccccn1)c2ncccc2O AIFCHEM-94586371500 [0,1,0,0,0,1|2,0,0]=4 30 B17R2.3417 O=C(Nc1cccnc1)c2ccccc2O AIFCHEM-94531015631 [0,1,0,0,0,1|1,0,0]=3 31 B17R2.3417 O=C(Nc1ccncc1)c2ccccc2F AIFCHEM-94533901086 [0,1,0,0,0,1|1,0,0]=3 32 B17R2.3417 O=C(Nc1ccncc1)c2ccccc2I AIFCHEM-94533903812 [0,1,0,0,0,1|1,0,0]=3 33 B17R2.3417 O=C(Nc1ccncc1)c2ccncc2O AIFCHEM-94533895131 [0,1,0,0,0,1|2,0,0]=4 34 B17R2.3417 O=C(Nc1ccncc1)c2ncccc2Br AIFCHEM-6106268832 [0,1,0,0,0,1|2,0,0]=4 35 B17R2.3417 O=C(Nc1ccncc1)c2ncccc2I AIFCHEM-6158100260 [0,1,0,0,0,1|2,0,0]=4 36 B17R2.3426 CC(=Cc1ccccc1O)c2ccccc2 AIFCHEM-94522756141 [0,1,0,0,0,1|1,0,0]=3 37 B17R2.3426 CC(=Cc1cccnc1N)c2ccccc2 AIFCHEM-94522741357 [0,1,0,0,0,1|2,0,0]=4 38 B17R2.3426 CC(=Cc1cnccc1O)c2ccccc2 AIFCHEM-94522749871 [0,1,0,0,0,1|2,0,0]=4 39 B17R2.3426 CN(Cc1ccccc1O)c2ccccc2 AIFCHEM-94532411720 [0,1,0,0,0,1|2,0,0]=4 40 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 AIFCHEM-94565583057 [0,1,0,0,0,1|0,0,0]=2 41 B17R2.3426 Cc1ccccc1NC(=O)c2ccnnc2 AIFCHEM-94578154718 [0,1,0,0,0,1|2,0,0]=4 42 B17R2.3426 Cc1cnncc1NC(=O)c2ccccc2 AIFCHEM-94558488448 [0,1,0,0,0,1|2,0,0]=4 43 B17R2.3426 Cc1ncncc1NC(=O)c2ccccc2 AIFCHEM-94565580315 [0,1,0,0,0,1|2,0,0]=4 44 B17R2.3426 O=C(Nc1ccc[nH]c1=O)c2ccccn2 AIFCHEM-94549278146 [0,1,0,0,0,1|2,0,0]=4 45 B17R2.3426 O=C(Nc1ccccc1Br)c2ccnnc2 AIFCHEM-94569946913 [0,1,0,0,0,1|2,0,0]=4 46 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccnnc2 AIFCHEM-94546076918 [0,1,0,0,0,1|2,0,0]=4 47 B17R2.3426 O=C(Nc1ccccc1O)c2cnccn2 AIFCHEM-94521349296 [0,1,0,0,0,1|2,0,0]=4 48 B17R2.3426 O=C(Nc1ccccc1O)c2cncnc2 AIFCHEM-94591829497 [0,1,0,0,0,1|2,0,0]=4 49 B17R2.3426 O=C(Nc1ccn[nH]c1=O)c2ccccc2 AIFCHEM-94565582194 [0,1,0,0,0,1|2,0,0]=4 50 B17R2.3426 O=C(Nc1cnccc1Br)c2ccncc2 AIFCHEM-5930137953 [0,1,0,0,0,1|2,0,0]=4 51 B17R2.5273 CC(=Cc1ccccn1)c2cccc(c2)C AIFCHEM-94604083323 [0,1,0,0,0,1|2,0,0]=4 52 B17R2.5273 CC(=Cc1cccnc1)c2cccc(c2)C AIFCHEM-94604084755 [0,1,0,0,0,1|2,0,0]=4 53 B17R2.5273 CC(=Cc1cccnc1)c2cccc(c2)F AIFCHEM-94575683506 [0,1,0,0,0,1|2,0,0]=4 54 B17R2.5273 Cc1cc(ncn1)C(=O)Nc2ccccc2 AIFCHEM-94552040338 [0,1,0,0,0,1|2,0,0]=4 55 B17R2.5273 Cc1cncc(c1)C(=O)Nc2ccncc2 AIFCHEM-94533900178 [0,1,0,0,0,1|2,0,0]=4 56 B17R2.5273 O=C(Nc1ccccc1)c2cc(=O)cco2 AIFCHEM-94577034946 [0,1,0,0,0,1|1,0,0]=3 57 B17R2.5273 O=C(Nc1ccccc1)c2cc(ccn2)O AIFCHEM-94552042553 [0,1,0,0,0,1|1,0,0]=3 58 B17R2.5273 O=C(Nc1ccccc1)c2cc(ncn2)O AIFCHEM-94552045757 [0,1,0,0,0,1|2,0,0]=4 59 B17R2.5273 O=C(Nc1ccccn1)c2cncc(c2)O AIFCHEM-94586367574 [0,1,0,0,0,1|2,0,0]=4 60 B17R2.5273 O=C(Nc1cccnc1)c2cccc(=O)[nH]2 AIFCHEM-94531011405 [0,1,0,0,0,1|2,0,0]=4 61 B17R2.5273 O=C(Nc1cccnc1)c2cncc(c2)I AIFCHEM-94531010351 [0,1,0,0,0,1|2,0,0]=4 62 B17R2.5273 O=C(Nc1ccncc1)c2cc(=O)cco2 AIFCHEM-94533901338 [0,1,0,0,0,1|2,0,0]=4 63 B17R2.5273 O=C(Nc1ccncc1)c2cccc(c2)Cl AIFCHEM-6158506736 [0,1,0,0,0,1|1,0,0]=3 64 B17R2.5273 O=C(Nc1ccncc1)c2cccc(c2)F AIFCHEM-6172797050 [0,1,0,0,0,1|1,0,0]=3 65 B17R2.5273 O=C(Nc1ccncc1)c2cccc(c2)O AIFCHEM-94533904596 [0,1,0,0,0,1|1,0,0]=3 66 B17R2.5273 O=C(Nc1ccncc1)c2cncc(c2)Cl AIFCHEM-94533899219 [0,1,0,0,0,1|2,0,0]=4 67 B17R2.5293 CC(=Cc1cc(ccn1)F)c2ccccc2 AIFCHEM-94522749740 [0,1,0,0,0,1|2,0,0]=4 68 B17R2.5293 CC(=Cc1cc(ccn1)O)c2ccccc2 AIFCHEM-94522749870 [0,1,0,0,0,1|2,0,0]=4 69 B17R2.5293 CC(=Cc1cc[nH]c(=O)c1)c2ccccc2 AIFCHEM-94522754490 [0,1,0,0,0,1|2,0,0]=4 70 B17R2.5293 CC(=Cc1cccc(c1)F)c2ccccc2 AIFCHEM-94522741564 [0,1,0,0,0,1|1,0,0]=3 71 B17R2.5293 CC(=Cc1cccc(c1)O)c2ccccc2 AIFCHEM-94522752099 [0,1,0,0,0,1|1,0,0]=3 72 B17R2.5293 CC(=Cc1ccnc(c1)N)c2ccccc2 AIFCHEM-94522754230 [0,1,0,0,0,1|2,0,0]=4 73 B17R2.5293 CC(=Cc1cncc(c1)N)c2ccccc2 AIFCHEM-94522748450 [0,1,0,0,0,1|2,0,0]=4 74 B17R2.5293 Cc1cccc(c1)NC(=O)c2cccnn2 AIFCHEM-94565753521 [0,1,0,0,0,1|2,0,0]=4 75 B17R2.5293 Cc1cccc(n1)NC(=O)c2ccccc2 AIFCHEM-94565577686 [0,1,0,0,0,1|1,0,0]=3 76 B17R2.5293 Cc1ccnc(c1)NC(=O)c2ccncc2 AIFCHEM-5822318738 [0,1,0,0,0,1|2,0,0]=4 77 B17R2.5293 Cc1cnnc(c1)NC(=O)c2ccccc2 AIFCHEM-94565576299 [0,1,0,0,0,1|2,0,0]=4 78 B17R2.5293 O=C(Nc1cc(ccn1)Br)c2ccccc2 AIFCHEM-94565584592 [0,1,0,0,0,1|1,0,0]=3 79 B17R2.5293 O=C(Nc1cc(ccn1)Cl)c2ccccc2 AIFCHEM-94565578114 [0,1,0,0,0,1|1,0,0]=3 80 B17R2.5293 O=C(Nc1cc(ccn1)O)c2ccccc2 AIFCHEM-94535018539 [0,1,0,0,0,1|1,0,0]=3 81 B17R2.5293 O=C(Nc1cc(ccn1)O)c2ccccn2 AIFCHEM-94578914605 [0,1,0,0,0,1|2,0,0]=4 82 B17R2.5293 O=C(Nc1cc(ccn1)O)c2cccnc2 AIFCHEM-94535018125 [0,1,0,0,0,1|2,0,0]=4 83 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccnnc2 AIFCHEM-5675915769 [0,1,0,0,0,1|2,0,0]=4 84 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccn2 AIFCHEM-94578923002 [0,1,0,0,0,1|1,0,0]=3 85 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccncc2 AIFCHEM-94542290472 [0,1,0,0,0,1|1,0,0]=3 86 B17R2.5293 O=C(Nc1cccc(n1)O)c2ccccn2 AIFCHEM-94555801484 [0,1,0,0,0,1|2,0,0]=4 87 B17R2.5293 O=C(Nc1cccc(n1)O)c2cccnc2 AIFCHEM-94555801151 [0,1,0,0,0,1|2,0,0]=4 88 B17R2.5293 O=C(Nc1ccnc(c1)O)c2cccnc2 AIFCHEM-94552272785 [0,1,0,0,0,1|2,0,0]=4 89 B17R2.5293 O=C(Nc1cncc(c1)I)c2cccnc2 AIFCHEM-5613542160 [0,1,0,0,0,1|2,0,0]=4 90 B17R2.10205 CN(C(=O)c1ccccn1)c2ccccn2 AIFCHEM-94578921860 [0,1,0,0,0,1|2,0,0]=4 91 B15R2.1259 CC(=Cc1ccsc1)c2ccccc2 AIFCHEM-94522741361 [0,0,1,1,0,0|2,0,0]=4 92 B15R2.4382 CC=Cc1ccc(c2c1cccc2)F AIFCHEM-6317445893 [0,0,1,1,0,0|1,0,1]=4 93 B17R3.8708 C1=C(Cc2c1cccc2)c3ccccc3 AIFCHEM-6322869595 [0,0,0,1,0,1|1,0,0]=3 94 B17R3.8708 c1cncc(c1)c2nc3ccccc3[nH]2 AIFCHEM-6396696016 [0,0,0,1,0,1|2,0,0]=4 95 B15R2.2195 C(=Cc1ccccn1)c2cccnc2 AIFCHEM-6376071272 [1,0,0,0,0,1|2,0,0]=4 96 B15R2.2195 c1ccc(cc1)NCc2cccnc2 AIFCHEM-94577026157 [1,0,0,0,0,1|1,0,1]=4 97 B15R2.64 O=C(Nc1ccccc1)c2cnoc2 AIFCHEM-94577036119 [0,0,0,0,1,1|2,0,0]=4 98 B15R2.64 O=C(Nc1cccnc1)c2ccc[nH]2 AIFCHEM-94531015313 [0,0,0,0,1,1|2,0,0]=4 99 B15R2.64 O=C(Nc1ccncc1)c2cc[nH]c2 AIFCHEM-94533904314 [0,0,0,0,1,1|2,0,0]=4 100 B15R2.64 O=C(Nc1ccncc1)c2ccc[nH]2 AIFCHEM-6158698817 [0,0,0,0,1,1|2,0,0]=4 101 B17R2.143 O=C(Cc1ccncc1)Nc2ccccc2 AIFCHEM-94603107430 [0,0,0,0,0,2|1,0,0]=3 102 B17R2.143 O=C(Cc1ccncc1)Nc2cccnc2 AIFCHEM-94603106789 [0,0,0,0,0,2|2,0,0]=4 103 B17R2.2342 O=C(NCc1ccncc1)c2ccccn2 AIFCHEM-94574680763 [0,0,0,0,0,2|2,0,0]=4 104 B17R2.2342 O=C(NCc1ccncc1)c2ccncc2 AIFCHEM-5862938578 [0,0,0,0,0,2|2,0,0]=4 105 B17R2.2342 O=C(NCc1ncccn1)c2ccccc2 AIFCHEM-94601448460 [0,0,0,0,0,2|2,0,0]=4