0 B11R1.36 CC(=O)N(C)c1ccccn1 AIFCHEM-94605353384 [0,0,1,0,0,0|2,0,1]=4 1 B11R1.36 CC(=O)N(C)c1cccnc1 AIFCHEM-6180237801 [0,0,1,0,0,0|2,0,1]=4 2 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,0,1,0,0,0|2,0,1]=4 3 B11R1.41 CC=Cc1cccnc1NC AIFCHEM-5624892479 [0,0,1,0,0,0|3,0,0]=4 4 B11R1.41 CC=Cc1cnccc1OC AIFCHEM-6384380509 [0,0,1,0,0,0|3,0,0]=4 5 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [0,0,1,0,0,0|0,0,0]=1 6 B11R1.222 C/C=C(\C)/c1cncnc1N AIFCHEM-94584223629 [0,0,1,0,0,0|3,0,0]=4 7 B11R1.222 C/C=C(\C)/c1ncccc1O AIFCHEM-94584218309 [0,0,1,0,0,0|1,0,0]=2 8 B11R1.222 C/C=C(\C)/c1nccnc1C AIFCHEM-94584210842 [0,0,1,0,0,0|3,0,0]=4 9 B11R1.222 C/C=C(\C)/c1nccnc1N AIFCHEM-94584215829 [0,0,1,0,0,0|3,0,0]=4 10 B11R1.222 C/C=C(\C)/c1nccnc1O AIFCHEM-94584211749 [0,0,1,0,0,0|2,0,0]=3 11 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [1,0,1,0,0,0|1,0,0]=3 12 B10R1.15 C/C=C(\C)/c1cccnn1 AIFCHEM-94584222994 [1,0,1,0,0,0|2,0,0]=4 13 B10R1.15 C/C=C(\C)/c1cnccn1 AIFCHEM-94584219793 [1,0,1,0,0,0|2,0,0]=4 14 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,0,1,0,0,0|1,0,0]=3 15 B10R1.18 CC(=Cc1ccncc1)C AIFCHEM-6347813633 [1,0,1,0,0,0|2,0,0]=4 16 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,0,1,0,0,0|1,0,0]=3 17 B10R1.4 CC=Cc1cnccc1F AIFCHEM-6369068956 [1,0,1,0,0,0|2,0,0]=4 18 B10R1.4 CCNc1ccccc1O AIFCHEM-94537427514 [1,0,1,0,0,0|1,0,1]=4 19 B10R1.131 CC=Cc1cc(c(s1)C)C AIFCHEM-6297614776 [1,0,1,0,0,0|0,1,1]=4 20 B12R1.20 CC(=O)N(C)c1ccc(cc1)I AIFCHEM-5731761315 [0,1,1,0,0,0|1,0,1]=4 21 B12R1.124 CC(=O)N(C)c1ccccc1F AIFCHEM-94605348690 [0,1,1,0,0,0|1,0,1]=4 22 B12R1.124 CC(=O)N(C)c1ccccc1O AIFCHEM-94535598018 [0,1,1,0,0,0|1,0,1]=4 23 B12R1.225 CC(=O)N(C)c1cccc(c1)F AIFCHEM-94535593371 [0,1,1,0,0,0|1,0,1]=4 24 B12R1.75 COc1ccccc1NC(=O)C AIFCHEM-94535590793 [0,1,1,0,0,0|2,0,0]=4 25 B12R1.75 CSc1ccccc1NC(=O)C AIFCHEM-5786942629 [0,1,1,0,0,0|2,0,0]=4 26 B12R1.77 C/C=C(\C)/c1ccccc1OC AIFCHEM-94584219949 [0,1,1,0,0,0|2,0,0]=4 27 B12R1.112 CC=Cc1ccc(cc1C=O)F AIFCHEM-6325996018 [0,1,1,0,0,0|2,0,0]=4 28 B12R1.112 CC=Cc1ccc(cc1C=O)O AIFCHEM-6326993859 [0,1,1,0,0,0|2,0,0]=4 29 B12R1.112 CC=Cc1ccc(cc1SC)C AIFCHEM-6304068829 [0,1,1,0,0,0|2,0,0]=4 30 B12R1.112 CC=Cc1ccc(cc1SC)F AIFCHEM-6345634634 [0,1,1,0,0,0|2,0,0]=4 31 B12R1.121 CCc1ccccc1C=CCO AIFCHEM-6403285681 [0,1,1,0,0,0|1,0,1]=4 32 B12R1.169 CC=Cc1cccnc1OCC AIFCHEM-6428933707 [0,1,1,0,0,0|1,0,1]=4 33 B12R1.268 CC=Cc1cc(ccc1C=O)C AIFCHEM-6330108861 [0,1,1,0,0,0|2,0,0]=4 34 B12R1.268 CC=Cc1cc(ccc1C=O)O AIFCHEM-6355308674 [0,1,1,0,0,0|2,0,0]=4 35 B12R1.268 CC=Cc1cc(ccc1OC)C AIFCHEM-94571714396 [0,1,1,0,0,0|2,0,0]=4 36 B12R1.283 CC=Cc1ccccc1C(C)O AIFCHEM-6288711231 [0,1,1,0,0,0|1,0,1]=4 37 B12R1.283 CC=Cc1ccccc1[C@@H](C)O AIFCHEM-6346903517 [0,1,1,0,0,0|1,0,1]=4 38 B12R1.283 CC=Cc1ccccc1[C@H](C)O AIFCHEM-6312488097 [0,1,1,0,0,0|1,0,1]=4 39 B12R1.542 CC=Cc1cccc(c1OC)F AIFCHEM-6321973158 [0,1,1,0,0,0|2,0,0]=4 40 B12R1.542 CC=Cc1cccc(c1OC)N AIFCHEM-6121768566 [0,1,1,0,0,0|2,0,0]=4 41 B12R1.1112 CC=Cc1c(cccc1CC)C AIFCHEM-6442323218 [0,1,1,0,0,0|1,0,1]=4 42 B12R1.1112 CC=Cc1c(cccc1OC)F AIFCHEM-6297477082 [0,1,1,0,0,0|2,0,0]=4 43 B12R1.1112 CC=Cc1c(cccc1OC)N AIFCHEM-5602365071 [0,1,1,0,0,0|2,0,0]=4 44 B12R1.24 C/C=C(\C)/c1cccc(=O)n1C AIFCHEM-94584222744 [0,1,1,0,0,0|2,0,0]=4 45 B12R1.24 C/C=C(\C)/c1cccc(c1C)O AIFCHEM-94584221859 [0,1,1,0,0,0|1,0,0]=3 46 B12R1.24 C/C=C(\C)/c1cccc(c1O)O AIFCHEM-94584213102 [0,1,1,0,0,0|0,0,0]=2 47 B12R1.24 C/C=C(\C)/c1ccnc(c1C)C AIFCHEM-94584216527 [0,1,1,0,0,0|2,0,0]=4 48 B12R1.24 C/C=C(\C)/c1ccnc(c1F)N AIFCHEM-94584212930 [0,1,1,0,0,0|2,0,0]=4 49 B12R1.24 C/C=C(\C)/c1ccnc(c1N)N AIFCHEM-94584211270 [0,1,1,0,0,0|2,0,0]=4 50 B12R1.24 C/C=C(\C)/c1cncc(c1N)F AIFCHEM-94584210948 [0,1,1,0,0,0|2,0,0]=4 51 B12R1.308 CCNC(C)c1ccccc1O AIFCHEM-94537426788 [0,1,1,0,0,0|0,0,2]=4 52 B12R1.308 CCN[C@@H](C)c1ccccc1O AIFCHEM-94543553652 [0,1,1,0,0,0|0,0,2]=4 53 B12R1.308 CCN[C@H](C)c1ccccc1O AIFCHEM-94537413736 [0,1,1,0,0,0|0,0,2]=4 54 B12R1.354 C/C=C(\C)/c1cc(c[nH]c1=O)F AIFCHEM-94584222970 [0,1,1,0,0,0|1,0,1]=4 55 B12R1.354 C/C=C(\C)/c1cc(ccc1F)C AIFCHEM-94584218727 [0,1,1,0,0,0|1,0,0]=3 56 B12R1.354 C/C=C(\C)/c1cc(ccc1F)F AIFCHEM-94584218232 [0,1,1,0,0,0|1,0,0]=3 57 B12R1.354 C/C=C(\C)/c1cc(ccc1N)O AIFCHEM-94584221559 [0,1,1,0,0,0|1,0,0]=3 58 B12R1.354 C/C=C(\C)/c1cc(ccc1O)C AIFCHEM-94584220859 [0,1,1,0,0,0|0,0,0]=2 59 B12R1.354 C/C=C(\C)/c1cc(ccc1O)O AIFCHEM-94584220013 [0,1,1,0,0,0|0,0,0]=2 60 B12R1.354 C/C=C(\C)/c1cc(cnc1C)C AIFCHEM-94584214227 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.354 C/C=C(\C)/c1cc(cnc1C)O AIFCHEM-94584214865 [0,1,1,0,0,0|2,0,0]=4 62 B12R1.354 C/C=C(\C)/c1cc(cnc1N)C AIFCHEM-94584214274 [0,1,1,0,0,0|2,0,0]=4 63 B12R1.354 C/C=C(\C)/c1cc(ncc1F)O AIFCHEM-94584222972 [0,1,1,0,0,0|2,0,0]=4 64 B12R1.354 C/C=C(\C)/c1cn(ccc1=O)C AIFCHEM-94584222858 [0,1,1,0,0,0|1,0,1]=4 65 B12R1.1703 C/C=C(\C)/c1ccc(cc1N)N AIFCHEM-94584220466 [0,1,1,0,0,0|1,0,0]=3 66 B12R1.1703 C/C=C(\C)/c1cnc(cc1F)O AIFCHEM-94584214613 [0,1,1,0,0,0|2,0,0]=4 67 B12R1.1703 C/C=C(\C)/c1ncc(cc1C)O AIFCHEM-94584208856 [0,1,1,0,0,0|2,0,0]=4 68 B12R1.1703 C/C=C(\C)/c1ncc(cc1F)N AIFCHEM-94584211512 [0,1,1,0,0,0|2,0,0]=4 69 B12R1.3441 C/C=C(\C)/c1c(cccc1O)C AIFCHEM-94584215878 [0,1,1,0,0,0|0,0,0]=2 70 B12R1.3441 C/C=C(\C)/c1c(ccnc1O)C AIFCHEM-94584214787 [0,1,1,0,0,0|1,0,0]=3 71 B12R1.3441 C/C=C(\C)/c1c(cncc1C)C AIFCHEM-94584215277 [0,1,1,0,0,0|2,0,0]=4 72 B14R2.517 CC=Cc1c2ccccc2nn1C AIFCHEM-6318854726 [0,2,0,0,0,0|2,0,0]=4 73 B12R2.2058 C(=C1CCC1)c2ccccc2 AIFCHEM-6322825111 [0,0,1,1,0,0|1,0,1]=4