0 B15R2.4343 CC(CO)Nc1ccc2c(c1)OCO2 AIFCHEM-94528074328 [0,0,0,0,0,0|3,0,0]=3 1 B15R2.4343 CCN(C)Cc1ccc2ncoc2c1 AIFCHEM-94563260737 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.4343 CCN(C)Cc1ccc2occc2c1 AIFCHEM-94563254754 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.991 CCCNc1ccc2c(c1)CCO2 AIFCHEM-94569018683 [1,0,0,0,0,0|3,0,0]=4 4 B14R2.991 CCCNc1ccc2c(c1)OCO2 AIFCHEM-94559635856 [1,0,0,0,0,0|2,0,0]=3 5 B14R2.991 CCNCc1ccc2c(c1)CCO2 AIFCHEM-94579522925 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.991 CCNCc1ccc2c(c1)OCO2 AIFCHEM-94537419381 [1,0,0,0,0,0|2,0,0]=3 7 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 AIFCHEM-94605351261 [1,0,0,0,0,0|2,0,1]=4 8 B16R2.2151 CC(CCO)Nc1ccc2c(c1)OCO2 AIFCHEM-94528078553 [0,1,0,0,0,0|2,0,0]=3 9 B16R2.2151 CCCC(C)Nc1ccc2c(c1)CCO2 AIFCHEM-94606118332 [0,1,0,0,0,0|3,0,0]=4 10 B16R2.2151 CCCC(C)Nc1ccc2c(c1)OCO2 AIFCHEM-94606116112 [0,1,0,0,0,0|2,0,0]=3 11 B16R2.2151 COCC(C)Nc1ccc2c(c1)OCO2 AIFCHEM-94559639775 [0,1,0,0,0,0|2,0,0]=3 12 B16R2.2183 CCN(C)C(=O)c1ccc2c(c1)OCO2 AIFCHEM-6099933640 [0,1,0,0,0,0|2,0,1]=4 13 B16R2.6257 CC(=O)N(C)Cc1ccc2c(c1)CCO2 AIFCHEM-94564220590 [0,1,0,0,0,0|3,0,0]=4 14 B16R2.6257 CC(O)C(C)Nc1ccc2c(c1)CCO2 AIFCHEM-94547071851 [0,1,0,0,0,0|3,0,0]=4 15 B16R2.6257 CC(O)C(C)Nc1ccc2c(c1)OCO2 AIFCHEM-94547069631 [0,1,0,0,0,0|2,0,0]=3 16 B16R2.11850 CCC(CC)Nc1ccc2c(c1)CCO2 AIFCHEM-94538328580 [0,1,0,0,0,0|3,0,0]=4 17 B16R2.11850 CCC(CC)Nc1ccc2c(c1)OCO2 AIFCHEM-94538326360 [0,1,0,0,0,0|2,0,0]=3 18 B16R2.11850 CCC(CO)Nc1ccc2c(c1)OCO2 AIFCHEM-94559639248 [0,1,0,0,0,0|2,0,0]=3 19 B16R2.11850 OCC(CO)Nc1ccc2c(c1)OCO2 AIFCHEM-94528080379 [0,1,0,0,0,0|3,0,0]=4 20 B16R2.34310 CCN(C)Cc1cc2c(cc1O)OCO2 AIFCHEM-94563258825 [0,1,0,0,0,0|2,0,0]=3 21 B14R1.24 CCOc1ccc(cc1)CN(C)CC AIFCHEM-6097605272 [0,0,1,0,0,0|3,0,0]=4 22 B14R1.470 CCOc1cccc(c1)CN(C)CC AIFCHEM-94563257419 [0,0,1,0,0,0|3,0,0]=4 23 B14R1.3276 CCN(C)Cc1ccc(c(c1)I)OC AIFCHEM-6097025835 [0,0,1,0,0,0|3,0,0]=4 24 B16R3.5012 c1cc2c(cc1CN3CCC3)CCO2 AIFCHEM-94604923086 [0,0,0,1,0,0|3,0,0]=4 25 B16R3.5012 c1cc2c(cc1NC3CCC3)CCO2 AIFCHEM-94576053857 [0,0,0,1,0,0|3,0,0]=4 26 B16R3.5012 c1cc2c(cc1NC3CCC3)OCC2 AIFCHEM-94576055364 [0,0,0,1,0,0|3,0,0]=4 27 B16R3.5012 c1cc2c(cc1NC3CCC3)OCO2 AIFCHEM-94559635667 [0,0,0,1,0,0|2,0,0]=3 28 B16R3.5012 c1cc2c(cc1NC3COC3)OCO2 AIFCHEM-94559640244 [0,0,0,1,0,0|3,0,0]=4 29 B16R2.1357 CC(CO)NCc1ccc2c(c1)CCO2 AIFCHEM-6481502273 [0,0,0,0,0,1|3,0,0]=4 30 B16R2.1357 CCC(C)CNc1ccc2c(c1)CCO2 AIFCHEM-5832138909 [0,0,0,0,0,1|2,0,0]=3 31 B16R2.1357 CCC(C)CNc1ccc2c(c1)OCO2 AIFCHEM-94528080377 [0,0,0,0,0,1|1,0,0]=2 32 B16R2.1357 CCC(C)CNc1ccc2ocnc2c1 AIFCHEM-6073319600 [0,0,0,0,0,1|2,0,1]=4 33 B16R2.1357 C[C@@H](CF)NCc1ccc2c(c1)CCO2 AIFCHEM-6011499888 [0,0,0,0,0,1|3,0,0]=4 34 B16R2.1357 C[C@@H](CO)NCc1ccc2c(c1)CCO2 AIFCHEM-6446627132 [0,0,0,0,0,1|3,0,0]=4 35 B16R2.1357 C[C@H](CF)NCc1ccc2c(c1)CCO2 AIFCHEM-6089201937 [0,0,0,0,0,1|3,0,0]=4 36 B16R2.1357 C[C@H](CO)NCc1ccc2c(c1)CCO2 AIFCHEM-6414278268 [0,0,0,0,0,1|3,0,0]=4 37 B16R2.1357 OCC(O)CNc1ccc2c(c1)OCO2 AIFCHEM-94559639596 [0,0,0,0,0,1|3,0,0]=4 38 B16R2.1357 OC[C@@H](O)CNc1ccc2c(c1)OCO2 AIFCHEM-94590562312 [0,0,0,0,0,1|3,0,0]=4 39 B13R1.577 CCCNc1ccc(c(c1)O)OC AIFCHEM-94569013699 [1,0,1,0,0,0|2,0,0]=4 40 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)O AIFCHEM-94563256365 [1,0,1,0,0,0|2,0,0]=4 41 B13R1.2879 CCN(C)Cc1ccc(c(c1)O)O AIFCHEM-94537411526 [1,0,1,0,0,0|2,0,0]=4 42 B13R1.575 CCNCc1ccc(c(c1)OC)O AIFCHEM-94537413052 [1,0,1,0,0,0|2,0,0]=4 43 B13R2.449 CCNc1ccc2c(c1)CCO2 AIFCHEM-94537421600 [2,0,0,0,0,0|2,0,0]=4 44 B13R2.449 CCNc1ccc2c(c1)OCC2 AIFCHEM-94537423107 [2,0,0,0,0,0|2,0,0]=4 45 B13R2.449 CCNc1ccc2c(c1)OCO2 AIFCHEM-94559640615 [2,0,0,0,0,0|1,0,0]=3 46 B15R1.1038 CCN(C)Cc1cccc(c1)OCOC AIFCHEM-94563256028 [0,1,1,0,0,0|2,0,0]=4 47 B15R1.1279 COc1ccc(cc1O)CN(C)CCO AIFCHEM-94548506344 [0,1,1,0,0,0|2,0,0]=4 48 B15R1.1846 CCN(C)Cc1ccc(c(c1Cl)O)OC AIFCHEM-94563258384 [0,1,1,0,0,0|2,0,0]=4 49 B15R1.1846 CCN(C)Cc1ccc(c(c1O)O)OC AIFCHEM-94563258565 [0,1,1,0,0,0|2,0,0]=4 50 B15R1.21575 CCN(C)Cc1cc(c(c(c1)Cl)OC)O AIFCHEM-94563259218 [0,1,1,0,0,0|2,0,0]=4 51 B15R1.371 CCN(C)Cc1cc(c(c(c1)OC)O)Cl AIFCHEM-94563257009 [0,1,1,0,0,0|2,0,0]=4 52 B15R1.371 CCN(C)Cc1cc(c(c(c1)OC)O)O AIFCHEM-6099200817 [0,1,1,0,0,0|2,0,0]=4 53 B15R2.1503 CCCNc1cc2c(cc1C)OCO2 AIFCHEM-94569020711 [1,1,0,0,0,0|2,0,0]=4 54 B15R2.1503 CCCNc1cc2c(cc1Cl)OCO2 AIFCHEM-94569022369 [1,1,0,0,0,0|2,0,0]=4 55 B15R2.1503 CCCNc1cc2c(cc1F)OCO2 AIFCHEM-94569011941 [1,1,0,0,0,0|2,0,0]=4 56 B15R2.2123 CCCCNc1ccc2c(c1)CCO2 AIFCHEM-94523037913 [1,1,0,0,0,0|2,0,0]=4 57 B15R2.2123 CCCCNc1ccc2c(c1)OCO2 AIFCHEM-94528074619 [1,1,0,0,0,0|1,0,0]=3 58 B15R2.2123 CCCNCc1ccc2c(c1)CCO2 AIFCHEM-94569020958 [1,1,0,0,0,0|2,0,0]=4 59 B15R2.7688 CC(C)CNc1ccc2c(c1)OCO2 AIFCHEM-94559640704 [1,1,0,0,0,0|2,0,0]=4 60 B15R2.43323 CC(=Cc1ccc2c(c1F)OCO2)C AIFCHEM-6334517236 [1,1,0,0,0,0|0,0,2]=4 61 B17R2.6122 CC(CO)NC(C)c1ccc2c(c1)OCO2 AIFCHEM-6389680457 [0,1,0,0,0,1|2,0,0]=4 62 B17R2.6122 CC(N[C@@H](C)CO)c1ccc2c(c1)OCO2 AIFCHEM-6433302870 [0,1,0,0,0,1|2,0,0]=4 63 B17R2.6122 CC(N[C@H](C)CO)c1ccc2c(c1)OCO2 AIFCHEM-6414826616 [0,1,0,0,0,1|2,0,0]=4 64 B17R2.9648 CC(CCO)NCc1ccc2c(c1)CCO2 AIFCHEM-94579522102 [0,1,0,0,0,1|2,0,0]=4 65 B17R2.9648 CCCC(C)NCc1ccc2c(c1)CCO2 AIFCHEM-94606120607 [0,1,0,0,0,1|2,0,0]=4 66 B17R2.9648 CCC[C@@H](C)NCc1ccc2c(c1)CCO2 AIFCHEM-6010696706 [0,1,0,0,0,1|2,0,0]=4 67 B17R2.9648 CCC[C@H](C)NCc1ccc2c(c1)CCO2 AIFCHEM-5637111280 [0,1,0,0,0,1|2,0,0]=4 68 B17R2.9648 COCC(C)NCc1ccc2c(c1)CCO2 AIFCHEM-94579522085 [0,1,0,0,0,1|2,0,0]=4 69 B17R2.9648 COCC(C)NCc1ccc2c(c1)OCO2 AIFCHEM-6032446273 [0,1,0,0,0,1|1,0,0]=3 70 B17R2.9648 COC[C@@H](C)NCc1ccc2c(c1)CCO2 AIFCHEM-5748578810 [0,1,0,0,0,1|2,0,0]=4 71 B17R2.9648 COC[C@H](C)NCc1ccc2c(c1)CCO2 AIFCHEM-94572799876 [0,1,0,0,0,1|2,0,0]=4 72 B17R2.18982 CCC(C)N(C)Cc1ccc2c(c1)CCO2 AIFCHEM-6257870561 [0,1,0,0,0,1|2,0,0]=4 73 B17R2.35839 CC(C)(CO)CNc1ccc2c(c1)OCO2 AIFCHEM-94528078588 [0,1,0,0,0,1|2,0,0]=4 74 B17R2.35839 CCC(C)(C)NCc1ccc2c(c1)CCO2 AIFCHEM-5637635765 [0,1,0,0,0,1|2,0,0]=4 75 B17R2.45524 CC(C)C(C)NCc1ccc2c(c1)CCO2 AIFCHEM-94522511303 [0,1,0,0,0,1|2,0,0]=4 76 B17R2.45524 CC(C)[C@@H](C)NCc1ccc2c(c1)CCO2 AIFCHEM-94576821723 [0,1,0,0,0,1|2,0,0]=4 77 B17R2.45524 CC(O)C(C)NCc1ccc2c(c1)CCO2 AIFCHEM-94547073110 [0,1,0,0,0,1|2,0,0]=4 78 B17R2.45524 CC(O)C(C)NCc1ccc2c(c1)OCO2 AIFCHEM-94547069632 [0,1,0,0,0,1|1,0,0]=3 79 B17R2.48534 CCC(CC)NCc1ccc2c(c1)CCO2 AIFCHEM-5701699091 [0,1,0,0,0,1|2,0,0]=4 80 B17R2.48534 CCC(CC)NCc1ccc2c(c1)OCO2 AIFCHEM-94538326361 [0,1,0,0,0,1|1,0,0]=3 81 B17R2.48534 CCC(CO)NCc1ccc2c(c1)CCO2 AIFCHEM-94579521558 [0,1,0,0,0,1|2,0,0]=4 82 B17R2.48534 CC[C@H](CO)NCc1ccc2c(c1)CCO2 AIFCHEM-6484793326 [0,1,0,0,0,1|2,0,0]=4 83 B17R2.48534 COC(CNc1ccc2c(c1)CCO2)OC AIFCHEM-5824112945 [0,1,0,0,0,1|2,0,0]=4 84 B17R2.48534 COC(CNc1ccc2c(c1)OCO2)OC AIFCHEM-94528078044 [0,1,0,0,0,1|1,0,0]=3 85 B17R2.57548 CC(C#N)NCc1cc2c(cc1Br)OCO2 AIFCHEM-6496397045 [0,1,0,0,0,1|2,0,0]=4 86 B17R2.57548 CC(CO)NCc1cc2c(cc1O)OCO2 AIFCHEM-6389543862 [0,1,0,0,0,1|2,0,0]=4 87 B17R2.57548 C[C@@H](CF)NCc1cc2c(cc1O)OCO2 AIFCHEM-6011466443 [0,1,0,0,0,1|2,0,0]=4 88 B17R2.57548 C[C@@H](CO)NCc1cc2c(cc1O)OCO2 AIFCHEM-6438267335 [0,1,0,0,0,1|2,0,0]=4 89 B17R2.57548 C[C@H](CF)NCc1cc2c(cc1O)OCO2 AIFCHEM-6088831802 [0,1,0,0,0,1|2,0,0]=4 90 B17R2.57548 C[C@H](CO)NCc1cc2c(cc1O)OCO2 AIFCHEM-6395520642 [0,1,0,0,0,1|2,0,0]=4 91 B17R2.57711 CC(C#N)NCc1cc(c2c(c1)OCO2)Cl AIFCHEM-6495616940 [0,1,0,0,0,1|2,0,0]=4 92 B17R2.60983 CCC(C)CNc1ccc2c(c1)CC(O2)C AIFCHEM-6014312733 [0,1,0,0,0,1|2,0,0]=4 93 B17R2.2159 CCCC(C)Nc1ccc2c(c1)OCCO2 AIFCHEM-94606115284 [0,1,0,0,0,1|2,0,0]=4 94 B17R2.2159 CCCN(C)Cc1ccc2c(c1)OCCO2 AIFCHEM-94539573694 [0,1,0,0,0,1|2,0,0]=4 95 B17R2.9167 CC(O)C(C)Nc1ccc2c(c1)OCCO2 AIFCHEM-94547068803 [0,1,0,0,0,1|2,0,0]=4 96 B17R2.10085 CCCCC(C)Nc1ccc2c(c1)OCO2 AIFCHEM-94559639799 [0,2,0,0,0,0|2,0,0]=4 97 B17R2.10085 CSCCC(C)Nc1ccc2c(c1)OCO2 AIFCHEM-94559638423 [0,2,0,0,0,0|2,0,0]=4 98 B17R2.11444 CCC(COC)Nc1ccc2c(c1)OCO2 AIFCHEM-94528078006 [0,2,0,0,0,0|2,0,0]=4 99 B17R2.50473 CCCN(C)Cc1cc2c(cc1Br)OCO2 AIFCHEM-5802068590 [0,2,0,0,0,0|2,0,0]=4 100 B17R2.50473 CCCN(C)Cc1cc2c(cc1O)OCO2 AIFCHEM-5801835483 [0,2,0,0,0,0|2,0,0]=4 101 B17R2.50473 CN(CCO)Cc1cc2c(cc1O)OCO2 AIFCHEM-6458082183 [0,2,0,0,0,0|2,0,0]=4 102 B17R2.22726 CC(C)N(C)Cc1cc2c(cc1O)OCO2 AIFCHEM-94547939302 [0,2,0,0,0,0|2,0,0]=4 103 B17R2.45616 CC(Nc1ccc2c(c1)OCO2)C(C)(C)O AIFCHEM-94528074299 [0,2,0,0,0,0|2,0,0]=4 104 B17R2.48517 CCN(Cc1ccc2c(c1)OCO2)C(=O)C AIFCHEM-98288338656 [0,2,0,0,0,0|2,0,0]=4 105 B17R2.1200 CCN(C)Cc1cc2c(cc1OC)OCO2 AIFCHEM-94563259432 [0,2,0,0,0,0|2,0,0]=4 106 B17R2.87673 CCN(C)Cc1ccc2c(c1)OC(O2)(C)C AIFCHEM-6119482519 [0,2,0,0,0,0|2,0,0]=4 107 B15R2.28321 COc1ccc(cc1O)NC2CCC2 AIFCHEM-94576048873 [0,0,1,1,0,0|2,0,0]=4 108 B15R2.30442 COc1cc(ccc1O)CN2CCC2 AIFCHEM-94604919262 [0,0,1,1,0,0|2,0,0]=4 109 B17R3.4900 C[C@@H]1C[C@H]1NCc2ccc3c(c2)CCO3 AIFCHEM-94559009860 [0,0,0,1,0,1|2,0,0]=4 110 B17R3.7372 c1cc2c(cc1CNC3CCC3)CCO2 AIFCHEM-5688035158 [0,0,0,1,0,1|2,0,0]=4 111 B17R3.7372 c1cc2c(cc1CNC3COC3)OCO2 AIFCHEM-6011346760 [0,0,0,1,0,1|2,0,0]=4 112 B17R3.7372 c1cc2c(cc1NCC3CCC3)OCO2 AIFCHEM-94528076933 [0,0,0,1,0,1|1,0,0]=3 113 B17R3.123564 c1cc2c(cc1NC3CCC3)OCCO2 AIFCHEM-94576050809 [0,0,0,1,0,1|2,0,0]=4 114 B17R3.21035 c1cc2c(cc1NC3CCCC3)OCO2 AIFCHEM-94541521122 [0,1,0,1,0,0|2,0,0]=4 115 B17R3.21035 c1cc2c(cc1NC3CCOC3)OCO2 AIFCHEM-94559637697 [0,1,0,1,0,0|2,0,0]=4 116 B17R3.21035 c1cc2c(cc1NC3CCSC3)OCO2 AIFCHEM-94528073778 [0,1,0,1,0,0|2,0,0]=4 117 B17R3.32479 OC1CC(C1)Nc2ccc3c(c2)OCO3 AIFCHEM-94528075508 [0,1,0,1,0,0|2,0,0]=4 118 B17R3.67269 CC(Nc1ccc2c(c1)OCO2)C3CC3 AIFCHEM-94528079413 [0,1,0,1,0,0|2,0,0]=4 119 B17R3.4615 Brc1cc2c(cc1CN3CCC3)OCO2 AIFCHEM-94604920244 [0,1,0,1,0,0|2,0,0]=4 120 B17R3.4615 Cc1cc2c(cc1NC3CCC3)OCO2 AIFCHEM-94576055885 [0,1,0,1,0,0|2,0,0]=4 121 B17R3.4615 Fc1cc2c(cc1NC3CCC3)OCO2 AIFCHEM-94576047115 [0,1,0,1,0,0|2,0,0]=4 122 B17R3.4615 Oc1cc2c(cc1CN3CCC3)OCO2 AIFCHEM-6083583530 [0,1,0,1,0,0|2,0,0]=4 123 B13R1.49 C/C=C(\C)/c1ccc(c(c1)OC)O AIFCHEM-94584221496 [0,0,1,0,1,0|1,0,1]=4 124 B15R1.3779 CCC(C)CNc1ccc(c(c1)Br)OC AIFCHEM-5865166523 [0,0,1,0,0,1|2,0,0]=4 125 B15R1.3779 CCC(C)CNc1ccc(c(c1)C)OC AIFCHEM-5718064139 [0,0,1,0,0,1|2,0,0]=4 126 B15R1.3779 CCC(C)CNc1ccc(c(c1)Cl)OC AIFCHEM-94584574556 [0,0,1,0,0,1|2,0,0]=4 127 B15R1.3779 CCC(C)CNc1ccc(c(c1)F)OC AIFCHEM-6147039327 [0,0,1,0,0,1|2,0,0]=4 128 B15R1.3779 CCC(C)CNc1ccc(c(c1)I)OC AIFCHEM-6242979677 [0,0,1,0,0,1|2,0,0]=4 129 B15R1.4039 COc1cc(ccc1O)CNC(C)CO AIFCHEM-6176106881 [0,0,1,0,0,1|2,0,0]=4 130 B15R1.4039 COc1cc(ccc1O)CN[C@@H](C)CO AIFCHEM-6446705265 [0,0,1,0,0,1|2,0,0]=4 131 B15R1.4039 COc1cc(ccc1O)CN[C@H](C)CO AIFCHEM-6414328870 [0,0,1,0,0,1|2,0,0]=4 132 B15R2.352 CCCNc1ccc2c(c1)OCCO2 AIFCHEM-94569015635 [1,0,0,0,0,1|2,0,0]=4 133 B15R2.352 CCNCc1ccc2c(c1)OCCO2 AIFCHEM-94537416785 [1,0,0,0,0,1|2,0,0]=4 134 B15R2.19898 CCC(C)CNc1ccc2c(c1)CC2 AIFCHEM-6179303857 [0,0,0,0,1,1|2,0,0]=4 135 B17R2.556 CCC(C)CNc1ccc2c(c1)CCCO2 AIFCHEM-94563976359 [0,0,0,0,0,2|2,0,0]=4 136 B17R2.7777 CCC(C)CNCc1ccc2c(c1)CCO2 AIFCHEM-94534474194 [0,0,0,0,0,2|2,0,0]=4 137 B17R2.7777 COC(C)CNCc1ccc2c(c1)CCO2 AIFCHEM-5787364476 [0,0,0,0,0,2|2,0,0]=4 138 B17R2.7777 CO[C@@H](C)CNCc1ccc2c(c1)CCO2 AIFCHEM-5944114791 [0,0,0,0,0,2|2,0,0]=4 139 B17R2.7777 CO[C@H](C)CNCc1ccc2c(c1)CCO2 AIFCHEM-94608840110 [0,0,0,0,0,2|2,0,0]=4 140 B17R2.7777 CSC(C)CCNc1ccc2c(c1)CCO2 AIFCHEM-5847043696 [0,0,0,0,0,2|2,0,0]=4 141 B17R2.7777 CSC(C)CCNc1ccc2c(c1)OCO2 AIFCHEM-94528075621 [0,0,0,0,0,2|1,0,0]=3