0 B10R1.15 C/C=C(\C)/c1ccccn1 AIFCHEM-94584209692 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 C/C=C(\C)/c1cccnn1 AIFCHEM-94584222994 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 C/C=C(\C)/c1cnccn1 AIFCHEM-94584219793 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CCN(C)c1cccnc1 AIFCHEM-94537417258 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.16 CCNC(C)c1cccnc1 AIFCHEM-94537412581 [0,1,0,0,0,0|2,0,1]=4 5 B11R1.16 CCN[C@@H](C)c1cccnc1 AIFCHEM-94593286246 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.16 CCN[C@H](C)c1cccnc1 AIFCHEM-94529449831 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.22 C/C=C(\C)/c1ccc(nc1)O AIFCHEM-94584212304 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.22 CCN(C)c1ccc(cc1)Br AIFCHEM-94537424462 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.22 CCN(C)c1ccc(cc1)I AIFCHEM-94568454920 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.23 C/C=C(\C)/c1cc(ccn1)C AIFCHEM-94584218926 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.23 C/C=C(\C)/c1cccc(c1)F AIFCHEM-94584209876 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.23 C/C=C(\C)/c1cccc(n1)C AIFCHEM-94584219398 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.23 C/C=C(\C)/c1cccc(n1)N AIFCHEM-94584215194 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.23 C/C=C(\C)/c1cccc(n1)O AIFCHEM-94584216776 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.23 C/C=C(\C)/c1ccnc(c1)C AIFCHEM-94584215958 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.23 CCN(C)c1cccc(c1)Br AIFCHEM-94537415946 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.36 CC(=O)N(C)c1ccccn1 AIFCHEM-94605353384 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.36 CC(=O)N(C)c1cccnc1 AIFCHEM-6180237801 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.222 C/C=C(\C)/c1ncccc1O AIFCHEM-94584218309 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.11 C/C=C(\C)/c1ccco1 AIFCHEM-94584220027 [0,0,0,0,1,0|2,0,1]=4 25 B9R1.11 C/C=C(\C)/c1ccoc1 AIFCHEM-94584215864 [0,0,0,0,1,0|2,0,1]=4 26 B11R1.40 CCN(C)Cc1ccccc1 AIFCHEM-94537411577 [0,0,0,0,0,1|2,0,1]=4 27 B10R1.1 CC=Cc1ccc(cc1)N AIFCHEM-94608719473 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.4 CC=Cc1ccccc1C AIFCHEM-6371242545 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.17 CCCNc1ccccc1 AIFCHEM-94552032560 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.18 CC(=Cc1ccccc1)C AIFCHEM-6323250098 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.18 CC(=O)Nc1ccncc1 AIFCHEM-94535587956 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.43 CC(=O)N(C)Cc1ccncc1 AIFCHEM-94531380102 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.49 CC(CO)Nc1ccc(cc1)F AIFCHEM-94552015989 [0,1,0,0,0,1|0,0,2]=4 34 B12R1.50 CC(CO)Nc1cccc(c1)Cl AIFCHEM-94523487703 [0,1,0,0,0,1|0,0,2]=4 35 B12R1.118 CCC(CO)Nc1ccccc1 AIFCHEM-94552035952 [0,1,0,0,0,1|0,0,2]=4 36 B12R1.371 CC(CO)Nc1ccccc1O AIFCHEM-94521333642 [0,1,0,0,0,1|0,0,2]=4 37 B12R1.16 CCNC(C)c1ccc(cc1)C AIFCHEM-94537423224 [0,2,0,0,0,0|1,0,1]=4 38 B12R1.16 CCNC(C)c1ccc(cc1)Cl AIFCHEM-94537423780 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.16 CCN[C@@H](C)c1ccc(cc1)C AIFCHEM-94526455596 [0,2,0,0,0,0|1,0,1]=4 40 B12R1.16 CCN[C@@H](C)c1ccc(cc1)Cl AIFCHEM-94563416897 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O AIFCHEM-94537411195 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.16 CCN[C@H](C)c1ccc(cc1)C AIFCHEM-94537421477 [0,2,0,0,0,0|1,0,1]=4 43 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl AIFCHEM-94600892790 [0,2,0,0,0,0|1,0,1]=4 44 B12R1.16 CCN[C@H](C)c1ccc(cc1)O AIFCHEM-94537418040 [0,2,0,0,0,0|1,0,1]=4 45 B12R1.17 CCNC(C)c1cccc(c1)Cl AIFCHEM-94537421230 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.17 CCNC(C)c1cccc(c1)F AIFCHEM-94537425058 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.17 CCN[C@@H](C)c1cccc(c1)Cl AIFCHEM-94599591141 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.17 CCN[C@@H](C)c1cccc(c1)F AIFCHEM-94519043752 [0,2,0,0,0,0|1,0,1]=4 49 B12R1.17 CCN[C@H](C)c1cccc(c1)Cl AIFCHEM-94570734528 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.17 CCN[C@H](C)c1cccc(c1)F AIFCHEM-94537420186 [0,2,0,0,0,0|1,0,1]=4 51 B12R1.107 CC(=O)NC(C)c1ccccn1 AIFCHEM-5837712398 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.107 CC(=O)N[C@@H](C)c1ccccn1 AIFCHEM-5685771532 [0,2,0,0,0,0|1,0,0]=3 53 B12R1.107 CC(=O)N[C@H](C)c1ccccn1 AIFCHEM-94582277765 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.308 CCNC(C)c1ccccc1O AIFCHEM-94537426788 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.308 CCN[C@@H](C)c1ccccc1O AIFCHEM-94543553652 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.308 CCN[C@H](C)c1ccccc1O AIFCHEM-94537413736 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.5 C/C=C(\C)/c1ccc(cc1)SC AIFCHEM-94584209307 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.20 CC(=O)N(C)c1ccc(cc1)I AIFCHEM-5731761315 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.20 CC(=O)N(C)c1ccc(nc1)C AIFCHEM-5897531248 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.367 C/C=C(\C)/c1ccc(c(c1)F)F AIFCHEM-94584217608 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.367 C/C=C(\C)/c1ccc(c(c1)N)F AIFCHEM-94584216942 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)N AIFCHEM-94584218023 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.367 C/C=C(\C)/c1ccc(c(c1)O)O AIFCHEM-94584214301 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.1703 C/C=C(\C)/c1ccc(cc1N)N AIFCHEM-94584220466 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.24 C/C=C(\C)/c1cccc(c1C)O AIFCHEM-94584221859 [0,2,0,0,0,0|1,0,1]=4 66 B12R1.24 C/C=C(\C)/c1cccc(c1O)O AIFCHEM-94584213102 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.225 CC(=O)N(C)c1cccc(c1)F AIFCHEM-94535593371 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.225 CC(=O)N(C)c1cncc(c1)Br AIFCHEM-94535600272 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.354 C/C=C(\C)/c1cc(ccc1F)C AIFCHEM-94584218727 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.354 C/C=C(\C)/c1cc(ccc1F)F AIFCHEM-94584218232 [0,2,0,0,0,0|1,0,1]=4 71 B12R1.354 C/C=C(\C)/c1cc(ccc1N)O AIFCHEM-94584221559 [0,2,0,0,0,0|1,0,1]=4 72 B12R1.354 C/C=C(\C)/c1cc(ccc1O)C AIFCHEM-94584220859 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.354 C/C=C(\C)/c1cc(ccc1O)O AIFCHEM-94584220013 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.358 C/C=C(\C)/c1cc(cc(c1)F)C AIFCHEM-94584215320 [0,2,0,0,0,0|1,0,1]=4 75 B12R1.435 C/C=C(\C)/c1cccc(c1)C#N AIFCHEM-94584221084 [0,2,0,0,0,0|1,0,1]=4 76 B12R1.435 C/C=C(\C)/c1cccc(c1)CO AIFCHEM-94584213716 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.435 C/C=C(\C)/c1cccc(c1)OC AIFCHEM-94584221738 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.124 CC(=O)N(C)c1ccccc1F AIFCHEM-94605348690 [0,2,0,0,0,0|1,0,0]=3 79 B12R1.124 CC(=O)N(C)c1ccccc1O AIFCHEM-94535598018 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.77 C/C=C(\C)/c1ccccc1OC AIFCHEM-94584219949 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.3441 C/C=C(\C)/c1c(cccc1O)C AIFCHEM-94584215878 [0,2,0,0,0,0|1,0,1]=4 82 B12R2.2 C1=C(CCC1)c2ccccc2 AIFCHEM-94590916958 [0,1,0,1,0,0|1,0,1]=4 83 B12R2.2 C1=C(COC1)c2ccccc2 AIFCHEM-6345845864 [0,1,0,1,0,0|0,0,2]=4