0 B13R1.585 CC(=O)Nc1ccc(cc1)C(=S)N AIFCHEM-94605353431 [0,0,0,0,0,0|1,1,0]=2 1 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C AIFCHEM-5627058688 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C AIFCHEM-94533790707 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.585 CC(=O)Nc1ccc(cn1)C(=O)N AIFCHEM-6065137375 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.585 CC(=O)Nc1ccc(nc1)N(C)C AIFCHEM-94605353539 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.4 COc1ccc(cn1)NC(=O)C AIFCHEM-5666168071 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.4 COc1ccc(nc1)NC(=O)C AIFCHEM-94535588104 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.113 CCNc1ccc(cc1)C(C)O AIFCHEM-94537415613 [1,0,0,0,0,0|1,0,2]=4 8 B14R1.124 CC(=Cc1ncc(cc1F)C(=O)O)C AIFCHEM-6343850535 [0,1,0,0,0,0|3,0,0]=4 9 B14R1.717 C/C=C(\C)/c1ccc(nc1)NC(=O)C AIFCHEM-94584221333 [0,1,0,0,0,0|3,0,0]=4 10 B14R1.806 CC(=O)Nc1ccc(cc1)C(F)(F)F AIFCHEM-94605357468 [0,1,0,0,0,0|2,0,1]=4 11 B14R1.2879 CC(=O)c1ccc(nc1)NC(=O)CO AIFCHEM-94532679513 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.2879 CCC(=O)Nc1ccc(cc1)N(C)C AIFCHEM-94533793599 [0,1,0,0,0,0|3,0,0]=4 13 B14R1.2879 CCC(=O)Nc1ccc(nc1)C(=O)C AIFCHEM-94526507973 [0,1,0,0,0,0|2,0,0]=3 14 B14R1.2879 CN(C)c1ccc(cc1)NC(=O)CO AIFCHEM-94532684323 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.2879 NC(=O)c1ccc(cc1)NC(=O)CO AIFCHEM-94532681083 [0,1,0,0,0,0|1,0,0]=2 16 B14R1.5801 CC(=Cc1ccc(c(c1)N)C(=O)O)C AIFCHEM-6102034317 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.5801 CC(=Cc1ccc(c(c1)O)C(=O)N)C AIFCHEM-6355784966 [0,1,0,0,0,0|3,0,0]=4 18 B14R1.5801 CC(=Cc1ccc(c(n1)N)C(=O)O)C AIFCHEM-6385431613 [0,1,0,0,0,0|3,0,0]=4 19 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)N(C)C AIFCHEM-94605351591 [0,1,0,0,0,0|3,0,0]=4 20 B14R1.5801 CC(=O)Nc1ccc(c(c1)F)N(C)C AIFCHEM-94535596000 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.6402 CC(=O)N(C)c1ccc(cc1)C(C)C AIFCHEM-94605344601 [0,1,0,0,0,0|2,0,1]=4 22 B14R1.419 CC(=O)NCc1ccc(cc1)N(C)C AIFCHEM-94578080742 [0,0,0,0,0,1|3,0,0]=4 23 B14R1.419 CC(C)CNc1ccc(cc1)C(=O)O AIFCHEM-94572978098 [0,0,0,0,0,1|1,0,1]=3 24 B14R1.805 CC(=Cc1ccc(cc1)NC(=O)N)C AIFCHEM-6358205547 [0,0,0,0,0,1|3,0,0]=4 25 B14R1.805 CC(=O)Nc1ccc(cc1)CN(C)C AIFCHEM-94605355068 [0,0,0,0,0,1|3,0,0]=4 26 B14R1.805 CC(=O)Nc1ccc(nc1)C=C(C)C AIFCHEM-94527821192 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.20 CC(=O)Nc1ccc(cn1)C AIFCHEM-5874295902 [2,0,0,0,0,0|1,0,1]=4 28 B13R1.35 CC(=Cc1ccc(c(c1)C)C=O)C AIFCHEM-6416535400 [1,1,0,0,0,0|2,0,0]=4 29 B13R1.35 CC(=Cc1ccc(c(c1)N)C=O)C AIFCHEM-6201359393 [1,1,0,0,0,0|2,0,0]=4 30 B13R1.35 CC(=Cc1ccc(c(c1)O)C=O)C AIFCHEM-6404265018 [1,1,0,0,0,0|2,0,0]=4 31 B13R1.35 CC(=O)Nc1ccc(c(c1)Br)C#N AIFCHEM-94535597235 [1,1,0,0,0,0|1,0,1]=4 32 B13R1.35 COc1ccc(cc1Br)NC(=O)C AIFCHEM-94535593158 [1,1,0,0,0,0|2,0,0]=4 33 B13R1.35 COc1ccc(cc1F)NC(=O)C AIFCHEM-94535595845 [1,1,0,0,0,0|2,0,0]=4 34 B13R1.36 CC(=O)N(C)c1ccc(cc1)C#N AIFCHEM-94535596731 [1,1,0,0,0,0|1,0,1]=4 35 B13R1.36 COc1ccc(cc1)N(C)C(=O)C AIFCHEM-94605337723 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.142 CCOc1ccc(cc1)NC(=O)C AIFCHEM-6140367110 [1,1,0,0,0,0|1,0,1]=4 37 B13R1.142 COCc1ccc(cc1)NC(=O)C AIFCHEM-5883450590 [1,1,0,0,0,0|0,0,1]=3 38 B13R1.653 CC(=Cc1ccc(cc1C)C=O)C AIFCHEM-6349792511 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.653 CC(=Cc1ccc(cc1O)C=O)C AIFCHEM-6376909943 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C AIFCHEM-94605352062 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.653 COc1ccc(c(c1)C)NC(=O)C AIFCHEM-94555828642 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.74 CCCNc1ccc(cc1)C(=O)O AIFCHEM-94569015844 [1,1,0,0,0,0|0,0,1]=3 43 B13R1.74 O=C(O)c1ccc(cc1)C=CCO AIFCHEM-6312353296 [1,1,0,0,0,0|1,0,0]=3 44 B13R1.74 O=C(O)c1ccc(nc1)C=CCO AIFCHEM-6330213043 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.139 CC=Cc1ccc(cc1)C(=O)NC AIFCHEM-6328508123 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.139 CC=Cc1ccc(nc1)C(=O)OC AIFCHEM-6287741204 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.139 CCNc1ccc(cc1)C(=O)NC AIFCHEM-94537423740 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.140 CC=Cc1ccc(cc1)S(=O)(=O)O AIFCHEM-94581980330 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.144 CC=Cc1ccc(cc1F)C(=O)N AIFCHEM-6364549693 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.144 CC=Cc1ccc(cc1O)C(=O)N AIFCHEM-6323486425 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.144 CCNc1ncc(cc1Cl)C(=O)O AIFCHEM-94537421457 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.385 CC=Cc1ccc(c(c1)N)C(=O)N AIFCHEM-5641436662 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)O AIFCHEM-6333078875 [1,1,0,0,0,0|1,0,0]=3 54 B13R1.385 CCNc1cc(c(cn1)C(=O)O)Cl AIFCHEM-94537411882 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.385 CCNc1ccc(c(n1)Cl)C(=O)O AIFCHEM-94537411887 [1,1,0,0,0,0|1,0,1]=4 56 B13R1.537 CCN(C)c1ccc(cc1)C(=O)O AIFCHEM-94601127225 [1,1,0,0,0,0|0,0,1]=3 57 B13R1.533 COC(=O)c1cnc(s1)NC(=O)C AIFCHEM-5766895382 [0,1,0,0,1,0|2,0,0]=4 58 B15R1.495 CC(O)C(C)Nc1ccc(cc1)C(=O)O AIFCHEM-94527609274 [0,1,0,0,0,1|0,0,2]=4 59 B15R1.944 C/C=C(\C)/c1ccc(cc1)CNC(=O)C AIFCHEM-100070573298 [0,1,0,0,0,1|2,0,0]=4 60 B15R1.944 CC=C(C)c1ccc(cc1)CNC(=O)C AIFCHEM-47004156537 [0,1,0,0,0,1|2,0,0]=4 61 B15R1.944 COC(=O)c1ccc(cc1)CNC(=O)C AIFCHEM-94605354827 [0,1,0,0,0,1|0,0,0]=2 62 B15R1.956 CC(CF)NCc1ccc(cc1)C(=O)O AIFCHEM-6135373656 [0,1,0,0,0,1|1,0,1]=4 63 B15R1.956 CCC(C)CNc1ccc(cc1)C(=O)O AIFCHEM-94527611616 [0,1,0,0,0,1|1,0,1]=4 64 B15R1.956 C[C@@H](CF)NCc1ccc(cc1)C(=O)O AIFCHEM-6011740351 [0,1,0,0,0,1|1,0,1]=4 65 B15R1.956 C[C@H](CF)NCc1ccc(cc1)C(=O)O AIFCHEM-6115953870 [0,1,0,0,0,1|1,0,1]=4 66 B15R1.5380 CC(C)CNc1ccc(c(c1)Cl)C(=O)O AIFCHEM-94572978440 [0,1,0,0,0,1|1,0,1]=4 67 B15R1.5380 CC(C)NCc1ccc(c(c1)F)C(=O)O AIFCHEM-94520541110 [0,1,0,0,0,1|1,0,1]=4 68 B15R1.5380 Cc1cc(ccc1C(=O)O)NCC(C)C AIFCHEM-94572978508 [0,1,0,0,0,1|1,0,1]=4 69 B15R1.8014 CC(C)NCc1ccc(cc1F)C(=O)O AIFCHEM-94520538519 [0,1,0,0,0,1|1,0,1]=4 70 B15R1.8014 CC(C)NCc1ccc(cc1O)C(=O)O AIFCHEM-94520541214 [0,1,0,0,0,1|1,0,1]=4 71 B15R1.8014 Cc1cc(ccc1CNC(C)C)C(=O)O AIFCHEM-94520539030 [0,1,0,0,0,1|1,0,1]=4 72 B15R1.2997 CC(=Cc1ccc(cc1)NC(=O)CO)C AIFCHEM-95037240010 [0,1,0,0,0,1|2,0,0]=4 73 B15R1.2997 CC(=O)Nc1ccc(cc1)NC(=O)CO AIFCHEM-94575978333 [0,1,0,0,0,1|0,0,0]=2 74 B15R1.2997 CC(CO)Nc1ccc(cc1)CC(=O)O AIFCHEM-5630082270 [0,1,0,0,0,1|0,0,2]=4 75 B15R1.2997 CCC(=O)Nc1ccc(cc1)C=C(C)C AIFCHEM-95182107044 [0,1,0,0,0,1|2,0,0]=4 76 B15R1.2997 CCC(=O)Nc1ccc(cc1)CC(=O)N AIFCHEM-94526509482 [0,1,0,0,0,1|1,0,0]=3 77 B15R1.5387 CC(=O)Nc1ccc(cc1O)C=C(C)C AIFCHEM-95037247515 [0,1,0,0,0,1|2,0,0]=4 78 B15R1.12250 CC(=O)N(C)c1ccc(cc1)C=C(C)C AIFCHEM-6328560505 [0,1,0,0,0,1|2,0,0]=4 79 B15R1.37 CC(=Cc1ccc(cc1C#N)C(=O)O)C AIFCHEM-6390705373 [0,2,0,0,0,0|2,0,0]=4 80 B15R1.992 C/C=C(\C)/c1ccc(c(c1)O)NC(=O)C AIFCHEM-100070541435 [0,2,0,0,0,0|2,0,0]=4 81 B15R1.992 COC(=O)c1cc(c(cn1)NC(=O)C)C AIFCHEM-5625882362 [0,2,0,0,0,0|1,0,0]=3 82 B15R1.992 COC(=O)c1ccc(c(c1)F)C=C(C)C AIFCHEM-6356008656 [0,2,0,0,0,0|2,0,0]=4 83 B15R1.992 COC(=O)c1ccc(c(c1)O)C=C(C)C AIFCHEM-6356764661 [0,2,0,0,0,0|2,0,0]=4 84 B15R1.2999 CCC(=O)Nc1ccc(cc1F)C(=O)C AIFCHEM-94526510091 [0,2,0,0,0,0|1,0,0]=3 85 B15R1.5377 CC(=O)Nc1ccc(cc1C)S(=O)(=O)C AIFCHEM-94605351023 [0,2,0,0,0,0|1,0,1]=4 86 B15R1.8391 CC(=Cc1cc(c(cc1F)C(=O)O)N)C AIFCHEM-5697736767 [0,2,0,0,0,0|2,0,0]=4 87 B15R1.25855 CC(=Cc1ccc(c(c1C)N)C(=O)O)C AIFCHEM-5932236473 [0,2,0,0,0,0|2,0,0]=4 88 B15R1.25855 CC(=Cc1ccc(c(c1F)O)C(=O)O)C AIFCHEM-6321998520 [0,2,0,0,0,0|2,0,0]=4 89 B15R1.779 CC(=O)Nc1ccc(cc1)C(=O)CC#N AIFCHEM-94548493431 [0,2,0,0,0,0|1,0,0]=3 90 B15R1.779 CCOC(=O)c1ccc(cc1)C=C(C)C AIFCHEM-6370948353 [0,2,0,0,0,0|2,0,0]=4 91 B15R1.2994 C#CC(=O)Nc1ccc(cc1)C(=O)CC AIFCHEM-94525201356 [0,2,0,0,0,0|1,0,1]=4 92 B15R1.2994 C#CC(=O)Nc1ccc(cc1)C(=O)NC AIFCHEM-94525200666 [0,2,0,0,0,0|1,0,1]=4 93 B15R1.2994 C/C=C(\C)/c1ccc(cc1)NC(=O)CC AIFCHEM-95159804123 [0,2,0,0,0,0|2,0,0]=4 94 B15R1.2994 C/C=C(\C)/c1ccc(cc1)NC(=O)CO AIFCHEM-100070546503 [0,2,0,0,0,0|2,0,0]=4 95 B15R1.11693 C/C=C(\C)/c1ccc(cc1F)NC(=O)C AIFCHEM-94584217661 [0,2,0,0,0,0|2,0,0]=4 96 B15R1.11693 COC(=O)c1ccc(cc1Br)NC(=O)C AIFCHEM-6039429638 [0,2,0,0,0,0|0,0,0]=2 97 B15R1.11693 COC(=O)c1ccc(cc1O)C=C(C)C AIFCHEM-6436212957 [0,2,0,0,0,0|2,0,0]=4 98 B15R1.2995 C#CC(=O)Nc1ccc(cc1)S(=O)(=O)O AIFCHEM-94525192172 [0,2,0,0,0,0|1,0,1]=4 99 B15R1.3665 CC(=O)N(C)c1ccc(cc1)S(=O)(=O)C AIFCHEM-94535590381 [0,2,0,0,0,0|1,0,1]=4 100 B15R1.1262 C#CCC(=O)Nc1ccc(cc1)C(=O)C AIFCHEM-94530005203 [0,2,0,0,0,0|1,0,0]=3 101 B15R1.1262 CC#CC(=O)Nc1ccc(cc1)C(=O)C AIFCHEM-94530008024 [0,2,0,0,0,0|1,0,0]=3 102 B15R1.1262 CC(=O)c1ccc(cc1)NC(=O)CCO AIFCHEM-94530007310 [0,2,0,0,0,0|1,0,0]=3 103 B15R1.1262 CSCC(=O)Nc1ccc(nc1)C(=O)C AIFCHEM-5651246809 [0,2,0,0,0,0|2,0,0]=4 104 B15R1.3848 CC(=O)c1ccc(cc1O)NC(=O)CO AIFCHEM-94532680649 [0,2,0,0,0,0|1,0,0]=3 105 B15R1.12449 CC(=Cc1ccc(c(c1)C=O)C(=O)O)C AIFCHEM-6306319532 [0,2,0,0,0,0|2,0,0]=4 106 B15R1.12449 CCc1cc(ccc1C(=O)O)C=C(C)C AIFCHEM-6331965394 [0,2,0,0,0,0|2,0,0]=4 107 B15R2.16216 O=C(O)c1ccc(cc1)NCC2CC2 AIFCHEM-5824638262 [0,0,0,1,0,1|1,0,1]=4 108 B15R2.926 CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 AIFCHEM-5941815035 [0,0,0,1,0,1|1,0,0]=3 109 B15R2.926 CC(=O)Nc1ccc2nc(oc2c1)C AIFCHEM-6196803270 [0,0,0,1,0,1|1,0,0]=3 110 B15R2.926 CC(=O)Nc1ccc2oc(nc2c1)C AIFCHEM-5694083065 [0,0,0,1,0,1|2,0,0]=4 111 B15R2.9245 CC(=O)Nc1ccc2c(=O)[nH][nH]c2c1 AIFCHEM-94535594054 [0,1,0,1,0,0|1,0,0]=3 112 B15R2.9245 CC(=O)Nc1ccc2c([nH]nc2c1)Cl AIFCHEM-6284078912 [0,1,0,1,0,0|2,0,0]=4 113 B15R2.9245 CC(=O)Nc1ccc2c(c1)CNC2=O AIFCHEM-94605350087 [0,1,0,1,0,0|1,0,0]=3 114 B15R2.9245 CC(=O)Nc1ccc2c(n[nH]c2c1)C AIFCHEM-94605356292 [0,1,0,1,0,0|2,0,0]=4 115 B15R2.16219 O=C(O)c1ccc(cc1)NC2CCC2 AIFCHEM-94527605667 [0,1,0,1,0,0|1,0,1]=4 116 B11R1.124 CC=Cc1cc(co1)C(=O)O AIFCHEM-6322307882 [1,0,0,0,1,0|2,0,0]=4 117 B13R1.3 CC(=O)NCc1ccc(cc1)C#N AIFCHEM-94535592120 [1,0,0,0,0,1|1,0,1]=4 118 B13R1.3 CCc1ccc(cc1)CNC(=O)C AIFCHEM-94605355910 [1,0,0,0,0,1|1,0,1]=4 119 B13R1.587 CC(=O)Nc1cc(ccn1)C(=O)C AIFCHEM-94535596422 [0,0,0,0,1,1|1,0,0]=3 120 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)C AIFCHEM-5894380099 [0,0,0,0,1,1|1,0,0]=3 121 B13R1.587 CC(=O)Nc1cccc(c1)C(=S)N AIFCHEM-94605356276 [0,0,0,0,1,1|1,1,0]=4 122 B13R1.587 CC(=O)Nc1ccnc(c1)C(=O)N AIFCHEM-5720673807 [0,0,0,0,1,1|1,0,0]=3 123 B15R1.499 CC(=O)NCc1ccc(cc1)C=C(C)C AIFCHEM-95037259178 [0,0,0,0,0,2|2,0,0]=4