0 B14R2.966 C/C=C(\C)/c1ccc2c(c1)CNC2 AIFCHEM-94605744542 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.966 C/C=C(\C)/c1ccc2c(c1)COC2 AIFCHEM-94584215875 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.966 C/C=C(\C)/c1ccc2cc[nH]c2c1 AIFCHEM-94584219307 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.449 CC=Cc1ccc2c(c1)CCO2 AIFCHEM-6403707624 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.449 CC=Cc1cnc2c(c1)NCC2 AIFCHEM-6075755540 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.449 CCNc1ccc2c(c1)OCC2 AIFCHEM-94537423107 [1,0,0,0,0,0|3,0,0]=4 6 B15R2.19053 C/C=C(\C)/c1cc2c(cc1O)CCC2 AIFCHEM-94584217264 [0,1,0,0,0,0|3,0,0]=4 7 B15R2.19098 C/C=C(\C)/c1ccc2c(c1)C(=O)CC2 AIFCHEM-94584213220 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.49 C/C=C(\C)/c1ccc(c(c1)NC)F AIFCHEM-94584210144 [0,0,1,0,0,0|3,0,0]=4 9 B13R1.139 CCNc1ccc(cc1)C(=O)NC AIFCHEM-94537423740 [0,0,1,0,0,0|3,0,0]=4 10 B13R1.374 C/C=C(\C)/c1cccc(c1)CCC AIFCHEM-94584215205 [0,0,1,0,0,0|3,0,0]=4 11 B13R1.374 CC=Cc1cccc(c1)C(=O)NC AIFCHEM-6407067086 [0,0,1,0,0,0|2,0,1]=4 12 B13R1.374 CC=Cc1cccc(n1)C(=O)OC AIFCHEM-6419682069 [0,0,1,0,0,0|2,0,1]=4 13 B13R1.374 CCNc1cc(ccn1)C(=O)OC AIFCHEM-94537424492 [0,0,1,0,0,0|1,0,0]=2 14 B13R1.374 CCNc1cncc(c1)C(=O)OC AIFCHEM-94537420723 [0,0,1,0,0,0|1,0,0]=2 15 B13R1.3088 C/C=C(\C)/c1ccc(c(c1)N)CO AIFCHEM-94584224111 [0,0,1,0,0,0|3,0,0]=4 16 B15R2.1601 C/C=C(\C)/c1ccc2c(c1)CCCO2 AIFCHEM-94584218091 [0,0,0,0,0,1|3,0,0]=4 17 B15R2.1601 C/C=C(\C)/c1ccc2c(n1)NCCO2 AIFCHEM-94584224298 [0,0,0,0,0,1|3,0,0]=4 18 B15R2.4343 CCC(=O)Nc1ccc2c(c1)CCO2 AIFCHEM-94526507412 [0,0,0,0,0,1|3,0,0]=4 19 B15R2.4343 O=C(CO)Nc1ccc2c(c1)OCC2 AIFCHEM-94532683830 [0,0,0,0,0,1|3,0,0]=4 20 B12R1.286 CC=Cc1ccc(c(c1)NC)F AIFCHEM-5843997786 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.286 CC=Cc1ccc(c(c1)NC)N AIFCHEM-6363724941 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.278 CC=Cc1cccc(c1)SCC AIFCHEM-6344730616 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.279 CCNc1cccc(c1)C(=O)N AIFCHEM-94537420652 [1,0,1,0,0,0|1,0,0]=3 24 B12R1.279 CCNc1cccc(c1)C(C)O AIFCHEM-94537419093 [1,0,1,0,0,0|0,0,2]=4 25 B12R1.279 CCNc1cccc(n1)C(=O)O AIFCHEM-94537418925 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.279 CCNc1ccnc(c1)C(=O)O AIFCHEM-94530500623 [1,0,1,0,0,0|1,0,0]=3 27 B14R1.436 CC=Cc1cc(ccc1C)C(=O)OC AIFCHEM-6342310391 [0,1,1,0,0,0|1,0,0]=3 28 B14R1.436 CC=Cc1cc(ncc1C)C(=O)OC AIFCHEM-6363212749 [0,1,1,0,0,0|2,0,0]=4 29 B14R1.436 CCNc1cc(ccc1Cl)C(=O)OC AIFCHEM-94537421376 [0,1,1,0,0,0|1,0,0]=3 30 B14R1.436 CCNc1cc(ccc1I)C(=O)OC AIFCHEM-94537421425 [0,1,1,0,0,0|1,0,0]=3 31 B14R1.65 CCCNc1ccc(cn1)C(=O)OC AIFCHEM-94569017805 [0,1,1,0,0,0|2,0,0]=4 32 B14R1.65 CCNCc1ccc(cc1)C(=O)NC AIFCHEM-94537412538 [0,1,1,0,0,0|2,0,0]=4 33 B14R1.65 CCNCc1ccc(cc1)C(=O)OC AIFCHEM-94537423663 [0,1,1,0,0,0|1,0,0]=3 34 B14R1.487 CCNc1ccc(c(c1)Cl)C(=O)OC AIFCHEM-94537421856 [0,1,1,0,0,0|2,0,0]=4 35 B14R1.471 CC=Cc1cccc(c1)C(=O)OCC AIFCHEM-6382457478 [0,1,1,0,0,0|1,0,1]=4 36 B14R1.471 CCNc1cc(ccn1)C(=O)OCC AIFCHEM-94537414577 [0,1,1,0,0,0|1,0,0]=3 37 B14R1.471 CCNc1cccc(n1)C(=O)OCC AIFCHEM-94537424466 [0,1,1,0,0,0|1,0,0]=3 38 B14R1.471 CCNc1ccnc(n1)C(=O)OCC AIFCHEM-94537424691 [0,1,1,0,0,0|2,0,0]=4 39 B14R1.473 CCNc1cccc(c1C)C(=O)OC AIFCHEM-94537417320 [0,1,1,0,0,0|0,0,0]=2 40 B14R1.733 CNC(=O)c1cccc(c1)NC(=O)C AIFCHEM-94605351157 [0,1,1,0,0,0|1,0,1]=4 41 B14R1.733 COC(=O)c1cccc(c1)NC(=O)C AIFCHEM-5971477622 [0,1,1,0,0,0|0,0,1]=3 42 B14R1.734 CCN(C)c1ccnc(c1)C(=O)NC AIFCHEM-94537411910 [0,1,1,0,0,0|2,0,0]=4 43 B14R1.734 CCN(C)c1cncc(c1)C(=O)OC AIFCHEM-94537427080 [0,1,1,0,0,0|1,0,0]=3 44 B14R1.780 CCCNc1cc(ccn1)C(=O)OC AIFCHEM-94569021575 [0,1,1,0,0,0|1,0,0]=3 45 B14R1.780 CCCNc1cccc(c1)C(=O)NC AIFCHEM-94569016410 [0,1,1,0,0,0|1,0,0]=3 46 B14R1.780 CCCNc1cncc(c1)C(=O)OC AIFCHEM-94569017806 [0,1,1,0,0,0|1,0,0]=3 47 B14R1.3213 CC=Cc1cc(cc(c1)C(=O)OC)N AIFCHEM-5640406528 [0,1,1,0,0,0|1,0,1]=4 48 B14R1.3213 CCNc1cc(cc(c1)C(=O)OC)F AIFCHEM-94537426484 [0,1,1,0,0,0|0,0,0]=2 49 B14R1.3213 CCNc1cc(nc(c1)C(=O)OC)Cl AIFCHEM-94537413699 [0,1,1,0,0,0|1,0,0]=3 50 B14R1.3326 CCNc1cccc(c1)C(=O)N(C)C AIFCHEM-94537420343 [0,1,1,0,0,0|1,0,0]=3 51 B14R1.6795 CCNc1cc(c(cn1)F)C(=O)OC AIFCHEM-94537414976 [0,1,1,0,0,0|1,0,0]=3 52 B14R1.6795 CCNc1ccc(c(c1)C(=O)OC)I AIFCHEM-94537411913 [0,1,1,0,0,0|0,0,0]=2 53 B14R1.6795 CCNc1ccc(c(c1)C(=O)OC)O AIFCHEM-94537421580 [0,1,1,0,0,0|0,0,0]=2 54 B14R2.991 OCC=Cc1ccc2c(c1)OCC2 AIFCHEM-6322511760 [1,1,0,0,0,0|2,0,0]=4 55 B14R2.991 OCC=Cc1cnc2c(c1)NCC2 AIFCHEM-6042270655 [1,1,0,0,0,0|2,0,0]=4 56 B14R2.1008 CC(=Cc1ccc2c(c1)CCC2)C AIFCHEM-6322169020 [1,1,0,0,0,0|2,0,0]=4 57 B14R2.6400 CC=Cc1ccc2c(c1)CC(C2)O AIFCHEM-6336860954 [1,1,0,0,0,0|2,0,0]=4 58 B14R2.6412 CC=Cc1ccc2c(c1)CCC2O AIFCHEM-6472623596 [1,1,0,0,0,0|2,0,0]=4 59 B16R2.1229 C/C=C(\C)/c1ccc2c(c1C)NCCO2 AIFCHEM-94584210157 [0,1,0,0,0,1|2,0,0]=4 60 B16R2.173132 C/C=C(\C)/c1ccc2c(c1)NCCC2=O AIFCHEM-94584210065 [0,1,0,0,0,1|2,0,0]=4 61 B16R2.173132 C/C=C(\C)/c1ccc2c(c1)NCCN2C AIFCHEM-94584223602 [0,1,0,0,0,1|2,0,0]=4 62 B16R2.2151 COCC(=O)Nc1ccc2c(c1)COC2 AIFCHEM-6058743545 [0,1,0,0,0,1|2,0,0]=4 63 B16R2.2151 COCC(=O)Nc1ccc2cn[nH]c2c1 AIFCHEM-94572070470 [0,1,0,0,0,1|1,0,1]=4 64 B16R2.2122 C#CCNC(=O)c1ccc2c(c1)CCC2 AIFCHEM-94588320482 [0,2,0,0,0,0|2,0,0]=4 65 B14R2.527 CC=Cc1cccc2c1COC2=O AIFCHEM-6427268492 [0,0,1,1,0,0|1,0,1]=4 66 B16R3.1779 C1=C(CNC1)c2ccc3c(c2)NCC3 AIFCHEM-5697444294 [0,1,0,1,0,0|2,0,0]=4 67 B12R1.291 CCNc1cn[nH]c1C(=O)OC AIFCHEM-94537419517 [0,0,1,0,1,0|2,0,0]=4 68 B12R1.291 CCNc1csnc1C(=O)OC AIFCHEM-94537424922 [0,0,1,0,1,0|2,0,0]=4 69 B12R1.291 CCNc1sccc1C(=O)OC AIFCHEM-94537421880 [0,0,1,0,1,0|1,0,0]=3 70 B12R2.143 CC=Cc1ccc2c(c1)CC2 AIFCHEM-6307603872 [1,0,0,0,1,0|1,0,0]=3 71 B12R2.143 CCNc1ccc2c(c1)CC2 AIFCHEM-94537422857 [1,0,0,0,1,0|2,0,0]=4 72 B14R1.24 CCCc1ccc(cc1)NC(=O)CC AIFCHEM-94535645846 [0,0,1,0,0,1|2,0,0]=4 73 B14R1.3276 CCC(=O)Nc1ccc(c(c1)Cl)CC AIFCHEM-94526507897 [0,0,1,0,0,1|2,0,0]=4 74 B14R2.112 CC=Cc1ccc2c(c1)CCCC2 AIFCHEM-6379752811 [1,0,0,0,0,1|2,0,0]=4 75 B14R2.112 CC=Cc1ccc2c(c1)CNCC2 AIFCHEM-5925052349 [1,0,0,0,0,1|1,0,0]=3 76 B14R2.112 CC=Cc1ccc2c(c1)COCC2 AIFCHEM-6464220940 [1,0,0,0,0,1|2,0,0]=4 77 B14R2.112 CC=Cc1ccc2c(c1)NCCC2 AIFCHEM-94521067719 [1,0,0,0,0,1|1,0,0]=3 78 B14R2.112 CC=Cc1cnc2c(c1)CNCC2 AIFCHEM-5912688879 [1,0,0,0,0,1|2,0,0]=4 79 B14R2.10892 O=C(CO)Nc1ccc2c(c1)CC2 AIFCHEM-94532683623 [0,0,0,0,1,1|2,0,0]=4 80 B16R2.5347 CCC(=O)Nc1ccc2c(c1)OCCO2 AIFCHEM-94526504955 [0,0,0,0,0,2|2,0,0]=4 81 B11R1.189 CCNc1cccc(c1)OC AIFCHEM-94573851857 [2,0,1,0,0,0|0,0,0]=3 82 B11R1.192 CC=Cc1ccc(c(c1)C)C AIFCHEM-94530432251 [2,0,1,0,0,0|1,0,0]=4 83 B11R1.192 CC=Cc1ccc(c(c1)N)C AIFCHEM-5799362878 [2,0,1,0,0,0|1,0,0]=4 84 B13R1.354 CCNc1cc(ccc1C)C(=O)N AIFCHEM-94537417595 [1,1,1,0,0,0|1,0,0]=4 85 B13R1.74 CCCNc1ccc(cc1)C(=O)O AIFCHEM-94569015844 [1,1,1,0,0,0|1,0,0]=4 86 B13R1.567 CCCNc1cccc(c1)COC AIFCHEM-94569019645 [1,1,1,0,0,0|0,0,1]=4 87 B13R1.31 CCNc1cc(cc(c1)C(=O)O)Cl AIFCHEM-94537418532 [1,1,1,0,0,0|0,0,0]=3 88 B13R1.31 CCNc1cc(cc(n1)Cl)C(=O)O AIFCHEM-94537423809 [1,1,1,0,0,0|1,0,0]=4 89 B13R1.31 CCNc1cc(nc(c1)C(=O)O)Cl AIFCHEM-94537422731 [1,1,1,0,0,0|1,0,0]=4 90 B13R1.377 CCNc1cccc(c1Br)C(=O)O AIFCHEM-94537416626 [1,1,1,0,0,0|0,0,0]=3 91 B13R1.377 CCNc1cccc(c1C)C(=O)O AIFCHEM-94537422378 [1,1,1,0,0,0|0,0,0]=3 92 B13R1.568 CCCNc1cccc(c1)C(=O)O AIFCHEM-94550572309 [1,1,1,0,0,0|0,0,0]=3 93 B13R1.568 CCCNc1cccc(n1)C(=O)O AIFCHEM-94569016008 [1,1,1,0,0,0|1,0,0]=4 94 B13R1.587 CC(=O)Nc1cccc(c1)C(=O)C AIFCHEM-5894380099 [1,1,1,0,0,0|0,0,1]=4 95 B13R1.581 CCCNc1sccc1C(=O)OC AIFCHEM-94569018963 [0,1,1,0,1,0|1,0,0]=4 96 B13R2.1279 CC(=Cc1ccc2c(c1)CC2)C AIFCHEM-6350037789 [1,1,0,0,1,0|1,0,0]=4 97 B15R1.1277 COCC(=O)Nc1ccc(c(c1)OC)C AIFCHEM-5926384933 [0,1,1,0,0,1|1,0,0]=4 98 B15R1.567 CCNc1cccc(c1)OC(=O)N(C)C AIFCHEM-94537417803 [0,1,1,0,0,1|1,0,0]=4 99 B15R1.1038 CCCNc1cccc(c1)NC(=O)CC AIFCHEM-94561850079 [0,1,1,0,0,1|1,0,0]=4 100 B15R1.530 CCNc1cc(ccc1C)C(=O)N(C)C AIFCHEM-94537425260 [0,2,1,0,0,0|1,0,0]=4 101 B15R1.3628 CC=Cc1cc(cc(c1C)N)C(=O)OC AIFCHEM-6046930807 [0,2,1,0,0,0|1,0,0]=4 102 B15R1.3628 CCNc1cc(cc(c1O)Cl)C(=O)OC AIFCHEM-94537421288 [0,2,1,0,0,0|1,0,0]=4 103 B15R1.991 COC(=O)c1ccc(c(c1)C=C(C)C)C AIFCHEM-6328971374 [0,2,1,0,0,0|1,0,0]=4 104 B15R1.991 COC(=O)c1ccc(c(c1)NC(=O)C)Br AIFCHEM-6178878095 [0,2,1,0,0,0|1,0,0]=4 105 B15R1.991 COC(=O)c1ccc(c(c1)NC(=O)C)O AIFCHEM-94605353972 [0,2,1,0,0,0|1,0,0]=4 106 B15R1.7680 CCNc1cc(ccc1OC)C(=O)OC AIFCHEM-94537419155 [0,2,1,0,0,0|0,0,0]=3 107 B15R1.27362 CCNc1cc(c(cc1C)Cl)C(=O)OC AIFCHEM-94537412400 [0,2,1,0,0,0|0,0,0]=3 108 B15R1.27362 CCNc1cc(c(cc1F)Cl)C(=O)OC AIFCHEM-94537415311 [0,2,1,0,0,0|1,0,0]=4 109 B15R1.1056 CCCNc1ccc(c(c1)O)C(=O)OC AIFCHEM-94569018515 [0,2,1,0,0,0|1,0,0]=4 110 B15R1.12061 CCNCc1ccc(cc1Cl)C(=O)OC AIFCHEM-94537427366 [0,2,1,0,0,0|1,0,0]=4 111 B15R1.9646 CCNc1ccc(c(c1)C(=O)OCC)Cl AIFCHEM-94537423991 [0,2,1,0,0,0|0,0,0]=3 112 B15R1.9646 CCNc1ccc(c(n1)C(=O)OCC)Br AIFCHEM-94537413386 [0,2,1,0,0,0|1,0,0]=4 113 B15R1.969 COC(=O)c1cccc(c1F)NC(=O)C AIFCHEM-94605341312 [0,2,1,0,0,0|0,0,1]=4 114 B15R1.969 COC(=O)c1cccc(c1O)NC(=O)C AIFCHEM-94535595746 [0,2,1,0,0,0|0,0,1]=4 115 B15R1.3653 CCNc1cc(cc(c1C)C(=O)OC)Cl AIFCHEM-94537419844 [0,2,1,0,0,0|0,0,0]=3 116 B15R1.3653 CCNc1cc(cc(c1O)C(=O)OC)Cl AIFCHEM-94537422170 [0,2,1,0,0,0|0,0,0]=3 117 B15R1.3653 CCNc1cc(cc(c1O)C(=O)OC)F AIFCHEM-94537412749 [0,2,1,0,0,0|0,0,0]=3 118 B15R1.967 COC(=O)c1cc(ccn1)NCC(C)C AIFCHEM-94572984027 [0,2,1,0,0,0|1,0,0]=4 119 B15R1.967 COC(=O)c1cccc(n1)NCC(C)C AIFCHEM-94572980061 [0,2,1,0,0,0|1,0,0]=4 120 B15R1.967 COC(=O)c1ccnc(c1)CNC(C)C AIFCHEM-94520537169 [0,2,1,0,0,0|1,0,0]=4 121 B15R1.967 COC(=O)c1ccnc(c1)NCC(C)C AIFCHEM-94572983829 [0,2,1,0,0,0|1,0,0]=4 122 B15R1.1182 CCCNCc1cccc(n1)C(=O)OC AIFCHEM-94569013791 [0,2,1,0,0,0|1,0,0]=4 123 B15R1.1182 COC(=O)c1cccc(c1)CNCCF AIFCHEM-5853766408 [0,2,1,0,0,0|0,0,0]=3 124 B15R1.1182 COC(=O)c1cccc(n1)CNCCF AIFCHEM-5801487930 [0,2,1,0,0,0|1,0,0]=4 125 B15R1.1182 COC(=O)c1ccnc(c1)CNCCO AIFCHEM-94577775907 [0,2,1,0,0,0|1,0,0]=4 126 B15R1.5445 CCCNc1cc(cc(c1)C(=O)OC)C AIFCHEM-94569014409 [0,2,1,0,0,0|0,0,0]=3 127 B15R1.5445 CCCNc1cc(cc(c1)C(=O)OC)I AIFCHEM-94569015545 [0,2,1,0,0,0|0,0,0]=3 128 B15R1.5445 CCCNc1cc(cc(c1)C(=O)OC)O AIFCHEM-94569021430 [0,2,1,0,0,0|0,0,0]=3 129 B15R1.12147 CCCNc1cc(c(cn1)Br)C(=O)OC AIFCHEM-94569023535 [0,2,1,0,0,0|1,0,0]=4 130 B15R1.12147 CCCNc1ccc(c(c1)C(=O)OC)Cl AIFCHEM-94569018585 [0,2,1,0,0,0|0,0,0]=3 131 B15R1.3689 CCNc1cc(c(c(c1)C(=O)OC)Br)F AIFCHEM-94537411640 [0,2,1,0,0,0|0,0,0]=3 132 B15R1.9647 CCNc1ccc(c(c1)C(=O)OC)OC AIFCHEM-94537418786 [0,2,1,0,0,0|0,0,0]=3 133 B15R2.352 OCC=Cc1ccc2c(c1)CNCC2 AIFCHEM-5941457170 [1,1,0,0,0,1|1,0,0]=4 134 B15R2.888 CC=Cc1cc2c(cc1C)CCNC2 AIFCHEM-94525590926 [1,1,0,0,0,1|1,0,0]=4 135 B15R2.1282 CC=Cc1ccc2c(c1)NC(=O)CC2 AIFCHEM-6319631637 [1,1,0,0,0,1|1,0,0]=4 136 B15R2.1668 CC(=Cc1ccc2c(c1)CNCC2)C AIFCHEM-5926040277 [1,1,0,0,0,1|1,0,0]=4 137 B15R2.54379 CC=Cc1ccc2c(c1)NCCN2C AIFCHEM-5727017958 [1,1,0,0,0,1|1,0,0]=4 138 B15R2.2123 CCOC=Cc1cnc2c(c1)NCC2 AIFCHEM-94580714721 [1,2,0,0,0,0|1,0,0]=4 139 B15R2.2123 COCC=Cc1ccc2c(c1)CCC2 AIFCHEM-6298153953 [1,2,0,0,0,0|1,0,0]=4 140 B15R2.27852 CC(C)C(=O)Nc1ccc2c(c1)CC2 AIFCHEM-94545049956 [0,1,0,0,1,1|1,0,0]=4 141 B15R2.3423 C#CCNC(=O)c1ccc2c(c1)CC2 AIFCHEM-6236666978 [0,2,0,0,1,0|1,0,0]=4 142 B17R2.2159 COCC(=O)Nc1ccc2c(c1)CCCC2 AIFCHEM-6022242677 [0,1,0,0,0,2|1,0,0]=4 143 B17R2.2159 COCC(=O)Nc1ccc2c(c1)OCCO2 AIFCHEM-6054630511 [0,1,0,0,0,2|1,0,0]=4 144 B17R2.9648 COCC(=O)NCc1ccc2c(c1)CCC2 AIFCHEM-5677405061 [0,1,0,0,0,2|1,0,0]=4 145 B17R2.10085 CCOCC(=O)Nc1ccc2c(c1)OCC2 AIFCHEM-5939839536 [0,2,0,0,0,1|1,0,0]=4 146 B15R2.101 COC(=O)c1csc(c1)C2=COCC2 AIFCHEM-6371437733 [0,0,1,1,0,1|1,0,0]=4 147 B17R3.1917 C1=C(COC1)c2ccc3c(c2)CNCC3 AIFCHEM-5948749045 [0,1,0,1,0,1|1,0,0]=4 148 B17R3.1917 C1=C(COC1)c2ccc3c(c2)NCCO3 AIFCHEM-6225457933 [0,1,0,1,0,1|1,0,0]=4 149 B17R3.1941 C1=C(CCCO1)c2ccc3c(c2)NCC3 AIFCHEM-94558768192 [0,2,0,1,0,0|1,0,0]=4 150 B17R3.1941 C1=C(OCCC1)c2ccc3c(c2)NCC3 AIFCHEM-5724726735 [0,2,0,1,0,0|1,0,0]=4