0 B12R1.1703 C/C=C(\C)/c1ccc(cc1N)N AIFCHEM-94584220466 [0,1,0,0,0,0|2,0,1]=4 1 B12R1.1703 C/C=C(\C)/c1cnc(cc1F)O AIFCHEM-94584214613 [0,1,0,0,0,0|2,0,1]=4 2 B12R1.1703 C/C=C(\C)/c1ncc(cc1C)O AIFCHEM-94584208856 [0,1,0,0,0,0|1,0,1]=3 3 B12R1.1703 CCN(C)c1ccc(cc1Br)Br AIFCHEM-94537424930 [0,1,0,0,0,0|3,0,0]=4 4 B12R1.233 CC(=Cc1ccc(cc1C)N)C AIFCHEM-5668076152 [0,0,0,0,0,1|1,0,1]=3 5 B12R1.233 CC(=Cc1cnc(cc1C)C)C AIFCHEM-6470871539 [0,0,0,0,0,1|2,0,1]=4 6 B12R1.233 CC(=O)Nc1ccc(cc1C)I AIFCHEM-6211268315 [0,0,0,0,0,1|2,0,1]=4 7 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O AIFCHEM-94588750029 [0,0,0,0,0,1|2,0,1]=4 8 B12R1.233 CC(=O)Nc1ccc(cc1F)O AIFCHEM-94576186146 [0,0,0,0,0,1|2,0,1]=4 9 B11R1.22 C/C=C(\C)/c1ccc(cc1)C AIFCHEM-94584220431 [1,1,0,0,0,0|1,0,1]=4 10 B11R1.22 C/C=C(\C)/c1ccc(nc1)O AIFCHEM-94584212304 [1,1,0,0,0,0|1,0,1]=4 11 B11R1.22 CCN(C)c1ccc(cc1)Br AIFCHEM-94537424462 [1,1,0,0,0,0|2,0,0]=4 12 B11R1.22 CCN(C)c1ccc(cc1)C AIFCHEM-94537423659 [1,1,0,0,0,0|2,0,0]=4 13 B11R1.22 CCN(C)c1ccc(cc1)I AIFCHEM-94568454920 [1,1,0,0,0,0|2,0,0]=4 14 B11R1.22 CCN(C)c1ccc(cc1)O AIFCHEM-94520567749 [1,1,0,0,0,0|1,0,0]=3 15 B11R1.81 CC=Cc1ccc(cc1C)C AIFCHEM-94527147474 [1,1,0,0,0,0|1,0,1]=4 16 B11R1.81 CC=Cc1ccc(cc1F)O AIFCHEM-6364616607 [1,1,0,0,0,0|1,0,1]=4 17 B11R1.81 CC=Cc1ccc(nc1C)O AIFCHEM-6342978081 [1,1,0,0,0,0|1,0,1]=4 18 B11R1.81 CCNc1ccc(cc1Br)Br AIFCHEM-94544662986 [1,1,0,0,0,0|2,0,0]=4 19 B11R1.81 CCNc1ccc(cc1Br)F AIFCHEM-94537411222 [1,1,0,0,0,0|2,0,0]=4 20 B11R1.81 CCNc1ccc(cc1Br)I AIFCHEM-94537419864 [1,1,0,0,0,0|2,0,0]=4 21 B11R1.81 CCNc1ccc(cc1C)Cl AIFCHEM-94537427516 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.81 CCNc1ccc(cc1C)I AIFCHEM-94537414463 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.81 CCNc1ccc(cc1Cl)F AIFCHEM-94537418246 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.81 CCNc1ccc(cc1Cl)O AIFCHEM-94537416872 [1,1,0,0,0,0|1,0,0]=3 25 B11R1.81 CCNc1ccc(cc1F)O AIFCHEM-94576179707 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.81 CCNc1ccc(cc1I)Br AIFCHEM-94537424205 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.81 CCNc1ccc(cc1I)C AIFCHEM-94537419831 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.222 C/C=C(\C)/c1ccccc1O AIFCHEM-94584219423 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.222 CCN(C)c1cnccc1C AIFCHEM-94537425388 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.51 CC(=Cc1ccc(cc1C=O)O)C AIFCHEM-6378391178 [0,1,0,0,0,1|0,0,2]=4 31 B13R1.51 CC(=Cc1ccc(cc1CO)F)C AIFCHEM-6323844311 [0,1,0,0,0,1|1,0,1]=4 32 B13R1.51 CC(=Cc1ccc(cc1CO)N)C AIFCHEM-6396112265 [0,1,0,0,0,1|1,0,1]=4 33 B13R1.51 CSc1cc(ccc1C=C(C)C)C AIFCHEM-6356939142 [0,1,0,0,0,1|1,0,1]=4 34 B13R1.653 CC(=Cc1ccc(cc1C)C=O)C AIFCHEM-6349792511 [0,1,0,0,0,1|0,0,2]=4 35 B13R1.653 CC(=Cc1ccc(cc1C)CN)C AIFCHEM-6244712306 [0,1,0,0,0,1|1,0,1]=4 36 B13R1.653 CC(=Cc1ccc(cc1F)CO)C AIFCHEM-6218832293 [0,1,0,0,0,1|1,0,1]=4 37 B13R1.653 COc1ccc(c(c1)C)NC(=O)C AIFCHEM-94555828642 [0,1,0,0,0,1|1,0,1]=4 38 B13R1.653 CSc1ccc(c(c1)C)C=C(C)C AIFCHEM-6391590429 [0,1,0,0,0,1|0,1,1]=4 39 B13R1.876 CC(=Cc1cc(c(cc1C)C)N)C AIFCHEM-6271034376 [0,1,0,0,0,1|1,0,1]=4 40 B13R1.876 CC(=Cc1cc(c(cc1C)F)C)C AIFCHEM-6311235041 [0,1,0,0,0,1|1,0,1]=4 41 B13R1.876 CC(=Cc1cc(c(cc1C)F)N)C AIFCHEM-5613826931 [0,1,0,0,0,1|1,0,1]=4 42 B13R1.876 CC(=Cc1cc(c(cc1C)N)F)C AIFCHEM-5874086043 [0,1,0,0,0,1|1,0,1]=4 43 B13R1.2679 CC(CO)Nc1ccc(cc1O)F AIFCHEM-5763726708 [0,1,0,0,0,1|2,0,0]=4 44 B13R1.2679 CCN(C)Cc1ccc(cc1O)O AIFCHEM-94563261297 [0,1,0,0,0,1|2,0,0]=4 45 B13R1.2808 CC(=Cc1c(cc(cc1F)O)F)C AIFCHEM-6342238962 [0,1,0,0,0,1|1,0,1]=4 46 B13R1.3528 CC(=Cc1ccc(c(c1C)C)F)C AIFCHEM-6364371090 [0,1,0,0,0,1|1,0,1]=4 47 B13R1.3528 CC(=Cc1ccc(c(c1C)F)F)C AIFCHEM-6323834065 [0,1,0,0,0,1|1,0,1]=4 48 B13R1.2065 C/C=C(\C)/c1ccc(cc1CO)O AIFCHEM-94584216721 [0,2,0,0,0,0|0,0,1]=3 49 B13R1.2065 CCN(C)c1ccc(cc1OC)F AIFCHEM-94537413411 [0,2,0,0,0,0|2,0,0]=4 50 B13R1.1807 C/C=C(\C)/c1cc(c(cc1C)C)N AIFCHEM-94584221106 [0,2,0,0,0,0|1,0,1]=4 51 B13R1.1807 C/C=C(\C)/c1cc(c(cc1C)N)F AIFCHEM-94584218479 [0,2,0,0,0,0|1,0,1]=4 52 B13R1.1807 C/C=C(\C)/c1cc(c(cc1C)N)N AIFCHEM-94584209089 [0,2,0,0,0,0|1,0,1]=4 53 B13R1.95 C/C=C(\C)/c1ccc(cc1C)C=O AIFCHEM-94584221910 [0,2,0,0,0,0|0,0,2]=4 54 B13R1.95 C/C=C(\C)/c1ccc(cc1C)NC AIFCHEM-94584222064 [0,2,0,0,0,0|1,0,1]=4 55 B13R1.95 C/C=C(\C)/c1ccc(cc1F)OC AIFCHEM-94584218757 [0,2,0,0,0,0|1,0,1]=4 56 B13R1.95 C/C=C(\C)/c1ccc(cc1O)OC AIFCHEM-94584218405 [0,2,0,0,0,0|1,0,1]=4 57 B13R1.385 CC=Cc1ccc(c(c1)C)C(C)N AIFCHEM-94608824970 [0,2,0,0,0,0|2,0,0]=4 58 B13R1.385 CCNc1ccc(c(c1)C)N(C)C AIFCHEM-94537419620 [0,2,0,0,0,0|2,0,0]=4 59 B13R1.1808 C/C=C(\C)/c1ccc(c(c1C)N)C AIFCHEM-94584219504 [0,2,0,0,0,0|1,0,1]=4 60 B13R1.961 CCN(CC)c1ccc(cc1C)F AIFCHEM-94537411469 [0,2,0,0,0,0|2,0,0]=4 61 B13R1.1511 CCN[C@@H](C)c1ccc(cc1Br)F AIFCHEM-94537416350 [0,2,0,0,0,0|2,0,0]=4 62 B13R1.1511 CCN[C@H](C)c1ccc(cc1Br)F AIFCHEM-94537416351 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.124 CC=Cc1ccc(s1)C(C)N AIFCHEM-5653805476 [0,0,1,1,0,0|1,1,0]=4 64 B11R1.124 CC=Cc1ccc(s1)[C@@H](C)N AIFCHEM-5604217575 [0,0,1,1,0,0|1,1,0]=4 65 B11R1.124 CC=Cc1ncc(s1)C(C)C AIFCHEM-6363181370 [0,0,1,1,0,0|1,1,0]=4 66 B13R2.662 CCN1CCc2c1ccc(c2)Br AIFCHEM-94537418612 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.662 CCN1CCc2c1ccc(c2)F AIFCHEM-94537418893 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.662 CCN1CCc2c1ccc(c2)O AIFCHEM-94537427205 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.86 CC(=O)Nc1ccccc1C AIFCHEM-94578149958 [1,0,0,0,0,1|1,0,1]=4 70 B13R1.164 CC(C)CNc1ccc(cc1Cl)Br AIFCHEM-94572980384 [0,0,0,0,0,2|2,0,0]=4 71 B13R1.164 CC(C)CNc1ccc(cc1F)I AIFCHEM-94572979202 [0,0,0,0,0,2|2,0,0]=4 72 B13R1.164 CC(C)NCc1ccc(cc1Br)O AIFCHEM-94520538923 [0,0,0,0,0,2|1,0,0]=3 73 B13R1.164 CC(C)NCc1ccc(cc1F)Cl AIFCHEM-94520541155 [0,0,0,0,0,2|2,0,0]=4 74 B13R1.164 CC(C)NCc1ccc(cc1F)O AIFCHEM-94520539738 [0,0,0,0,0,2|1,0,0]=3 75 B13R1.164 CC(C)NCc1ccc(cc1O)Br AIFCHEM-94520538925 [0,0,0,0,0,2|2,0,0]=4 76 B13R1.164 CC(C)NCc1ccc(cc1O)Cl AIFCHEM-94520539048 [0,0,0,0,0,2|2,0,0]=4 77 B13R1.164 CC(C)NCc1ccc(cc1O)F AIFCHEM-94520539739 [0,0,0,0,0,2|2,0,0]=4 78 B13R1.164 CC(C)NCc1ccc(cc1O)I AIFCHEM-94520539944 [0,0,0,0,0,2|2,0,0]=4 79 B13R1.164 CC(C)NCc1ccc(cc1O)O AIFCHEM-94520542825 [0,0,0,0,0,2|1,0,0]=3 80 B13R1.164 Cc1cc(ccc1CNC(C)C)Cl AIFCHEM-94520540061 [0,0,0,0,0,2|1,0,0]=3 81 B13R1.164 Cc1cc(ccc1CNC(C)C)F AIFCHEM-94520541291 [0,0,0,0,0,2|1,0,0]=3 82 B13R1.164 Cc1cc(ccc1NCC(C)C)O AIFCHEM-94572979046 [0,0,0,0,0,2|0,0,0]=2 83 B13R1.164 Cc1cc(cnc1CNC(C)C)Cl AIFCHEM-94520541960 [0,0,0,0,0,2|2,0,0]=4 84 B13R1.164 Cc1cc(cnc1NCC(C)C)I AIFCHEM-94572975871 [0,0,0,0,0,2|2,0,0]=4 85 B13R1.164 Cc1ccc(c(c1)Br)NCC(C)C AIFCHEM-94525644772 [0,0,0,0,0,2|2,0,0]=4 86 B13R1.164 Cc1ccc(c(c1)O)CNC(C)C AIFCHEM-94520541623 [0,0,0,0,0,2|2,0,0]=4 87 B13R1.164 Cc1nc(ccc1CNC(C)C)Cl AIFCHEM-94520542409 [0,0,0,0,0,2|2,0,0]=4 88 B13R1.164 Cc1nc(ccc1NCC(C)C)Br AIFCHEM-94572973406 [0,0,0,0,0,2|2,0,0]=4